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Showing metabocard for Coproporphyrinogen III (HMDB0001261)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (4) Show 4 proteinsXML
enzymes (4) Show 4 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2020-07-22 16:11:05 UTC
HMDB IDHMDB0001261
Secondary Accession Numbers
  • HMDB01261
Metabolite Identification
Common NameCoproporphyrinogen III
DescriptionCoproporphyrinogen III is a porphyrin metabolite arising from heme synthesis. Porphyrins are pigments found in both animal and plant life. Coproporphyrinogen III is a tetrapyrrole dead-end product resulting from the spontaneous oxidation of the methylene bridges of coproporphyrinogen arising from heme synthesis. It is secreted in feces and urine. Coproporphyrinogen III is biosynthesized from the tetrapyrrole hydroxymethylbilane, which is converted by the action of uroporphyrinogen III synthase to uroporphyrinogen III. Uroporphyrinogen III is subsequently converted into coproporphyrinogen III through a series of four decarboxylations. Increased levels of coproporphyrinogens can indicate congenital erythropoietic porphyria or sideroblastic anemia, which are inherited disorders. Porphyria is a pathological state characterized by abnormalities of porphyrin metabolism and results in the excretion of large quantities of porphyrins in the urine and in extreme sensitivity to light. A large number of factors are capable of increasing porphyrin excretion, owing to different and multiple causes and etiologies: (1) the main site of the chronic hepatic porphyria disease process concentrates on the liver, (2) a functional and morphologic liver injury is almost regularly associated with this chronic porphyria, and (3) the toxic form due to occupational and environmental exposure takes mainly a subclinical course. Hepatic factors include disturbance in coproporphyrinogen metabolism, which results from inhibition of coproporphyrinogen oxidase as well as from the rapid loss and diminished utilization of coproporphyrinogen in the hepatocytes. This may also explain why coproporphyrin, its autoxidation product, predominates physiologically in the urine. Decreased biliary excretion of coproporphyrin leading to a compensatory urinary excretion. Therefore, the coproporphyrin ring isomer ratio (1:III) becomes a sensitive index for impaired liver function, intrahepatic cholestasis, and disturbed activity of hepatic uroporphyrinogen decarboxylase. In itself, secondary coproporphyrinuria is not associated with porphyria symptoms of a hepatologic-gastroenterologic, neurologic, or dermatologic order, even though coproporphyrinuria can occur with such symptoms (PMID: 3327428 ). Under certain conditions, coproporphyrinogen III can act as a phototoxin, a neurotoxin, and a metabotoxin. A phototoxin leads to cell damage upon exposure to light. A neurotoxin causes damage to nerve cells and nerve tissues. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of porphyrins are associated with porphyrias such as porphyria variegate, acute intermittent porphyria, hereditary coproporphyria (HCP), congenital erythropoietic porphyria, and sideroblastic anemia. In particular, coproporphyrinogen III is accumulated and excreted excessively in the feces in acute intermittent porphyria, protoporphyria, and variegate porphyria. There are several types of porphyrias (most are inherited). Hepatic porphyrias are characterized by acute neurological attacks (seizures, psychosis, extreme back and abdominal pain, and an acute polyneuropathy), while the erythropoietic forms present with skin problems (usually a light-sensitive blistering rash and increased hair growth). The neurotoxicity of porphyrins may be due to their selective interactions with tubulin, which disrupt microtubule formation and cause neural malformations (PMID: 3441503 ).
Structure
Data?1595434265
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001261 (Coproporphyrinogen III)


  Mrv1652303021818582D          

 48 52  0  0  0  0            999 V2000
    2.2341    0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898   -2.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2448    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996   -1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 48 47  2  0  0  0  0
  7 48  1  0  0  0  0
M  END
Download

3D MOL for HMDB0001261 (Coproporphyrinogen III)

HMDB0001261
     RDKit          3D
Coproporphyrinogen III
 92 96  0  0  0  0  0  0  0  0999 V2000
   -2.4816   -5.0379   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6019   -2.8156    1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -1.5339    1.1342 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828   -1.4432    0.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5054   -2.6927   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6815   -3.1207   -0.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9361    7.0791    1.6776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501    7.4383    0.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8808   -2.8677    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430   -1.6866    1.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3210   -3.3886    1.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1686   -5.1674   -0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1509   -2.2464   -1.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0403   -4.0598   -2.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7408   -0.4654   -0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7633    5.0299   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0790    4.6740    1.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8177    7.3697   -0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    2.7197    2.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5575    3.0149   -2.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8499    3.8504    1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8818    3.6265   -1.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1216    5.1861   -1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3873   -5.1795   -0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8986   -3.9474   -1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9461   -3.3323    2.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
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 47 90  1  0
 48 91  1  0
 48 92  1  0
M  END
Download

3D SDF for HMDB0001261 (Coproporphyrinogen III)


  Mrv1652303021818582D          

 48 52  0  0  0  0            999 V2000
    2.2341    0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898   -2.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8585    0.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591   -3.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996   -1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854   -3.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6923    2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0591    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8992    1.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0426   -4.3359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4547   -4.1171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362    3.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1993    2.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    3.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5354    1.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -2.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3487    4.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2938    2.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579    1.0540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596   -1.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7664   -3.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643    0.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171    4.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    4.6456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8539    1.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4078    3.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4788    0.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9041   -3.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6673    1.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6776   -4.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686   -4.5192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1935    1.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069    1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5330    0.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2941    2.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0390   -1.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9050   -1.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6635   -1.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0571   -0.6855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2236   -1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191   -0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4889   -0.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454   -1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996   -0.7023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639   -1.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5588   -1.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 23  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  2  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 23 30  1  0  0  0  0
 27 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
  9 11  2  0  0  0  0
 24 29  1  0  0  0  0
 27 29  2  0  0  0  0
 42 38  1  0  0  0  0
  2 40  1  0  0  0  0
 40 39  2  0  0  0  0
 42 40  1  0  0  0  0
 41 39  1  0  0  0  0
 39  7  1  0  0  0  0
 43 41  1  0  0  0  0
 43  1  1  0  0  0  0
 43 42  2  0  0  0  0
 45 44  2  0  0  0  0
 47 45  1  0  0  0  0
 45 22  1  0  0  0  0
 46 44  1  0  0  0  0
 44 24  1  0  0  0  0
 47 18  1  0  0  0  0
 48 46  1  0  0  0  0
 48 47  2  0  0  0  0
  7 48  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001261

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3

> <INCHI_IDENTIFIER>
InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)

> <INCHI_KEY>
NIUVHXTXUXOFEB-UHFFFAOYSA-N

> <FORMULA>
C36H44N4O8

> <MOLECULAR_WEIGHT>
660.7566

> <EXACT_MASS>
660.315914404

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
72.85338000201646

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid

> <ALOGPS_LOGP>
1.96

> <JCHEM_LOGP>
4.891239218666666

> <ALOGPS_LOGS>
-4.77

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
4.229360781234833

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.8015317067975603

> <JCHEM_POLAR_SURFACE_AREA>
212.35999999999996

> <JCHEM_REFRACTIVITY>
181.86080000000013

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.12e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0001261 (Coproporphyrinogen III)

HMDB0001261
     RDKit          3D
Coproporphyrinogen III
 92 96  0  0  0  0  0  0  0  0999 V2000
   -2.4816   -5.0379   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -3.5603    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6019   -2.8156    1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -1.5339    1.1342 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828   -1.4432    0.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5054   -2.6927   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6815   -3.1207   -0.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6931   -3.8684   -0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8154   -4.2587   -0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7983   -4.9143   -0.5372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8406   -3.9311   -2.3405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0096   -0.2366    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2575    1.0172   -0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1295    1.1176   -1.0153 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709    2.4190   -1.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987    3.1782   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7229    4.6658   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8311    5.1276    0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    6.6100    1.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9361    7.0791    1.6776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501    7.4383    0.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6376    2.3007    0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8462    2.6795    0.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5175    2.9898   -1.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7811    2.4565   -1.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    1.1748   -1.0562 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510    1.1174   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281    2.4247   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748    2.8625    0.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0916    2.8545   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3847    3.2584    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4629    3.5238    1.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4979    3.3404   -0.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7372    3.2547   -0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7645    4.7646   -0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820   -0.0808   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469   -1.3485    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3203   -1.4792    1.0715 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9401   -2.7719    1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8498   -3.4938    0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8745   -4.9787   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241   -2.6052   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0166   -3.0311   -0.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -3.6077   -0.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8808   -2.8677    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430   -1.6866    1.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9341   -3.5157    1.4944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3210   -3.3886    1.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1686   -5.1674   -0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514   -5.2660   -0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8031   -5.6397    0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5453   -0.7110    1.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3117   -3.7541   -1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1509   -2.2464   -1.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2283   -4.7643    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1063   -3.2377    0.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0403   -4.0598   -2.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7408   -0.4654   -0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6876    0.0299    0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100    0.2790   -1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    5.1056   -1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7633    5.0299   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694    4.9068    0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790    4.6740    1.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8177    7.3697   -0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    2.7197    2.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5938    1.8523    0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3097    3.5957    0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5301    4.1036   -1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575    3.0149   -2.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6629    0.2966   -1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8499    3.8504    1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2521    2.1043    1.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8818    3.6265   -1.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441    1.8942   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2477    2.6901   -0.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8187    5.0511   -0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6057    5.0811    0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1216    5.1861   -1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493    0.2145    0.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9222   -0.2953   -0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8047   -0.6658    1.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3873   -5.1795   -0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411   -5.3306   -0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3317   -5.5086    0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562   -3.7932   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3738   -2.1226   -1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8986   -3.9474   -1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921   -4.6146    0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9461   -3.3323    2.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301   -4.4880    1.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1974   -3.4725    2.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 16 22  1  0
 22 23  1  0
 15 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 28 34  1  0
 34 35  1  0
 27 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 39 48  1  0
  6  2  1  0
 22 13  2  0
 34 25  2  0
 42 37  2  0
 48  3  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  4 52  1  0
  7 53  1  0
  7 54  1  0
  8 55  1  0
  8 56  1  0
 11 57  1  0
 12 58  1  0
 12 59  1  0
 14 60  1  0
 17 61  1  0
 17 62  1  0
 18 63  1  0
 18 64  1  0
 21 65  1  0
 23 66  1  0
 23 67  1  0
 23 68  1  0
 24 69  1  0
 24 70  1  0
 26 71  1  0
 29 72  1  0
 29 73  1  0
 30 74  1  0
 30 75  1  0
 33 76  1  0
 35 77  1  0
 35 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 38 82  1  0
 41 83  1  0
 41 84  1  0
 41 85  1  0
 43 86  1  0
 43 87  1  0
 44 88  1  0
 44 89  1  0
 47 90  1  0
 48 91  1  0
 48 92  1  0
M  END
Download

PDB for HMDB0001261 (Coproporphyrinogen III)

HEADER    PROTEIN                                 02-MAR-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-MAR-18         0                                  
HETATM    1  C   UNK     0       4.170   0.290   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.341  -5.050   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.469   1.606   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.777  -5.607   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.190   3.077   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       1.996   1.890   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       0.373  -3.509   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.013  -7.128   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.159   4.123   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.710   3.324   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.679   3.423   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.813  -8.094   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       6.449  -7.685   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.428   5.639   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.372   4.142   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.249   6.630   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.999   3.387   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.617  -4.953   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.518   8.146   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.415   4.162   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      -1.228   1.968   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      -4.965  -2.582   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.431  -5.935   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.480   0.398   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       1.339   9.137   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       3.965   8.672   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -3.461   3.131   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.628   5.687   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.760   1.705   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.688  -7.454   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.979   3.388   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -3.131  -7.990   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -0.501  -8.436   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -5.961   2.202   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -7.480   2.459   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -8.462   1.273   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -8.016   3.903   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       5.673  -2.732   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.689  -2.808   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.105  -3.528   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0       1.973  -1.280   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0       4.151  -2.497   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.396  -1.071   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -2.779  -0.973   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -3.445  -2.334   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0      -1.306  -1.311   0.000  0.00  0.00           N+0
HETATM   47  C   UNK     0      -2.359  -3.435   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -1.043  -2.789   0.000  0.00  0.00           C+0
CONECT    1    3   43                                                       
CONECT    2    4   40                                                       
CONECT    3    1    5    6                                                  
CONECT    4    2    8                                                       
CONECT    5    3    9   10                                                  
CONECT    6    3   11                                                       
CONECT    7   39   48                                                       
CONECT    8    4   12   13                                                  
CONECT    9    5   14   11                                                  
CONECT   10    5                                                            
CONECT   11    6   15    9                                                  
CONECT   12    8                                                            
CONECT   13    8                                                            
CONECT   14    9   16                                                       
CONECT   15   11   17                                                       
CONECT   16   14   19                                                       
CONECT   17   15   20   21                                                  
CONECT   18   23   47                                                       
CONECT   19   16   25   26                                                  
CONECT   20   17   27   28                                                  
CONECT   21   17   29                                                       
CONECT   22   45                                                            
CONECT   23   18   30                                                       
CONECT   24   29   44                                                       
CONECT   25   19                                                            
CONECT   26   19                                                            
CONECT   27   20   31   29                                                  
CONECT   28   20                                                            
CONECT   29   21   24   27                                                  
CONECT   30   23   32   33                                                  
CONECT   31   27   34                                                       
CONECT   32   30                                                            
CONECT   33   30                                                            
CONECT   34   31   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   42                                                            
CONECT   39   40   41    7                                                  
CONECT   40    2   39   42                                                  
CONECT   41   39   43                                                       
CONECT   42   38   40   43                                                  
CONECT   43   41    1   42                                                  
CONECT   44   45   46   24                                                  
CONECT   45   44   47   22                                                  
CONECT   46   44   48                                                       
CONECT   47   45   18   48                                                  
CONECT   48   46   47    7                                                  
MASTER        0    0    0    0    0    0    0    0   48    0  104    0
END
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3D PDB for HMDB0001261 (Coproporphyrinogen III)

COMPND    HMDB0001261
HETATM    1  C1  UNL     1      -2.482  -5.038  -0.009  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.500  -3.560   0.324  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.602  -2.816   1.073  1.00  0.00           C  
HETATM    4  N1  UNL     1      -2.035  -1.534   1.134  1.00  0.00           N  
HETATM    5  C4  UNL     1      -3.183  -1.443   0.433  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.505  -2.693  -0.085  1.00  0.00           C  
HETATM    7  C6  UNL     1      -4.682  -3.121  -0.926  1.00  0.00           C  
HETATM    8  C7  UNL     1      -5.693  -3.868  -0.090  1.00  0.00           C  
HETATM    9  C8  UNL     1      -6.815  -4.259  -0.991  1.00  0.00           C  
HETATM   10  O1  UNL     1      -7.798  -4.914  -0.537  1.00  0.00           O  
HETATM   11  O2  UNL     1      -6.841  -3.931  -2.340  1.00  0.00           O  
HETATM   12  C9  UNL     1      -4.010  -0.237   0.113  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.257   1.017  -0.295  1.00  0.00           C  
HETATM   14  N2  UNL     1      -2.130   1.118  -1.015  1.00  0.00           N  
HETATM   15  C11 UNL     1      -1.771   2.419  -1.053  1.00  0.00           C  
HETATM   16  C12 UNL     1      -2.699   3.178  -0.346  1.00  0.00           C  
HETATM   17  C13 UNL     1      -2.723   4.666  -0.121  1.00  0.00           C  
HETATM   18  C14 UNL     1      -1.831   5.128   0.973  1.00  0.00           C  
HETATM   19  C15 UNL     1      -1.970   6.610   1.060  1.00  0.00           C  
HETATM   20  O3  UNL     1      -2.936   7.079   1.678  1.00  0.00           O  
HETATM   21  O4  UNL     1      -1.050   7.438   0.468  1.00  0.00           O  
HETATM   22  C16 UNL     1      -3.638   2.301   0.134  1.00  0.00           C  
HETATM   23  C17 UNL     1      -4.846   2.680   0.961  1.00  0.00           C  
HETATM   24  C18 UNL     1      -0.517   2.990  -1.709  1.00  0.00           C  
HETATM   25  C19 UNL     1       0.781   2.456  -1.124  1.00  0.00           C  
HETATM   26  N3  UNL     1       1.186   1.175  -1.056  1.00  0.00           N  
HETATM   27  C20 UNL     1       2.351   1.117  -0.407  1.00  0.00           C  
HETATM   28  C21 UNL     1       2.728   2.425  -0.043  1.00  0.00           C  
HETATM   29  C22 UNL     1       3.975   2.863   0.681  1.00  0.00           C  
HETATM   30  C23 UNL     1       5.092   2.855  -0.352  1.00  0.00           C  
HETATM   31  C24 UNL     1       6.385   3.258   0.233  1.00  0.00           C  
HETATM   32  O5  UNL     1       6.463   3.524   1.444  1.00  0.00           O  
HETATM   33  O6  UNL     1       7.498   3.340  -0.567  1.00  0.00           O  
HETATM   34  C25 UNL     1       1.737   3.255  -0.499  1.00  0.00           C  
HETATM   35  C26 UNL     1       1.765   4.765  -0.348  1.00  0.00           C  
HETATM   36  C27 UNL     1       3.182  -0.081  -0.007  1.00  0.00           C  
HETATM   37  C28 UNL     1       2.447  -1.349   0.359  1.00  0.00           C  
HETATM   38  N4  UNL     1       1.320  -1.479   1.072  1.00  0.00           N  
HETATM   39  C29 UNL     1       0.940  -2.772   1.030  1.00  0.00           C  
HETATM   40  C30 UNL     1       1.850  -3.494   0.282  1.00  0.00           C  
HETATM   41  C31 UNL     1       1.875  -4.979  -0.015  1.00  0.00           C  
HETATM   42  C32 UNL     1       2.824  -2.605  -0.158  1.00  0.00           C  
HETATM   43  C33 UNL     1       4.017  -3.031  -0.939  1.00  0.00           C  
HETATM   44  C34 UNL     1       5.150  -3.608  -0.216  1.00  0.00           C  
HETATM   45  C35 UNL     1       5.881  -2.868   0.787  1.00  0.00           C  
HETATM   46  O7  UNL     1       5.643  -1.687   1.075  1.00  0.00           O  
HETATM   47  O8  UNL     1       6.934  -3.516   1.494  1.00  0.00           O  
HETATM   48  C36 UNL     1      -0.321  -3.389   1.610  1.00  0.00           C  
HETATM   49  H1  UNL     1      -3.169  -5.167  -0.866  1.00  0.00           H  
HETATM   50  H2  UNL     1      -1.451  -5.266  -0.333  1.00  0.00           H  
HETATM   51  H3  UNL     1      -2.803  -5.640   0.869  1.00  0.00           H  
HETATM   52  H4  UNL     1      -1.545  -0.711   1.705  1.00  0.00           H  
HETATM   53  H5  UNL     1      -4.312  -3.754  -1.771  1.00  0.00           H  
HETATM   54  H6  UNL     1      -5.151  -2.246  -1.354  1.00  0.00           H  
HETATM   55  H7  UNL     1      -5.228  -4.764   0.405  1.00  0.00           H  
HETATM   56  H8  UNL     1      -6.106  -3.238   0.722  1.00  0.00           H  
HETATM   57  H9  UNL     1      -6.040  -4.060  -2.938  1.00  0.00           H  
HETATM   58  H10 UNL     1      -4.741  -0.465  -0.674  1.00  0.00           H  
HETATM   59  H11 UNL     1      -4.688   0.030   0.977  1.00  0.00           H  
HETATM   60  H12 UNL     1      -1.610   0.279  -1.540  1.00  0.00           H  
HETATM   61  H13 UNL     1      -2.350   5.106  -1.074  1.00  0.00           H  
HETATM   62  H14 UNL     1      -3.763   5.030  -0.022  1.00  0.00           H  
HETATM   63  H15 UNL     1      -0.769   4.907   0.807  1.00  0.00           H  
HETATM   64  H16 UNL     1      -2.079   4.674   1.962  1.00  0.00           H  
HETATM   65  H17 UNL     1      -0.818   7.370  -0.530  1.00  0.00           H  
HETATM   66  H18 UNL     1      -4.533   2.720   2.030  1.00  0.00           H  
HETATM   67  H19 UNL     1      -5.594   1.852   0.887  1.00  0.00           H  
HETATM   68  H20 UNL     1      -5.310   3.596   0.592  1.00  0.00           H  
HETATM   69  H21 UNL     1      -0.530   4.104  -1.482  1.00  0.00           H  
HETATM   70  H22 UNL     1      -0.558   3.015  -2.810  1.00  0.00           H  
HETATM   71  H23 UNL     1       0.663   0.297  -1.517  1.00  0.00           H  
HETATM   72  H24 UNL     1       3.850   3.850   1.119  1.00  0.00           H  
HETATM   73  H25 UNL     1       4.252   2.104   1.436  1.00  0.00           H  
HETATM   74  H26 UNL     1       4.882   3.626  -1.153  1.00  0.00           H  
HETATM   75  H27 UNL     1       5.144   1.894  -0.888  1.00  0.00           H  
HETATM   76  H28 UNL     1       8.248   2.690  -0.593  1.00  0.00           H  
HETATM   77  H29 UNL     1       2.819   5.051  -0.643  1.00  0.00           H  
HETATM   78  H30 UNL     1       1.606   5.081   0.683  1.00  0.00           H  
HETATM   79  H31 UNL     1       1.122   5.186  -1.111  1.00  0.00           H  
HETATM   80  H32 UNL     1       3.849   0.215   0.816  1.00  0.00           H  
HETATM   81  H33 UNL     1       3.922  -0.295  -0.848  1.00  0.00           H  
HETATM   82  H34 UNL     1       0.805  -0.666   1.646  1.00  0.00           H  
HETATM   83  H35 UNL     1       2.387  -5.180  -0.967  1.00  0.00           H  
HETATM   84  H36 UNL     1       0.841  -5.331  -0.137  1.00  0.00           H  
HETATM   85  H37 UNL     1       2.332  -5.509   0.849  1.00  0.00           H  
HETATM   86  H38 UNL     1       3.656  -3.793  -1.682  1.00  0.00           H  
HETATM   87  H39 UNL     1       4.374  -2.123  -1.487  1.00  0.00           H  
HETATM   88  H40 UNL     1       5.899  -3.947  -1.023  1.00  0.00           H  
HETATM   89  H41 UNL     1       4.892  -4.615   0.260  1.00  0.00           H  
HETATM   90  H42 UNL     1       6.946  -3.332   2.490  1.00  0.00           H  
HETATM   91  H43 UNL     1      -0.330  -4.488   1.331  1.00  0.00           H  
HETATM   92  H44 UNL     1      -0.197  -3.473   2.692  1.00  0.00           H  
CONECT    1    2   49   50   51
CONECT    2    3    3    6
CONECT    3    4   48
CONECT    4    5   52
CONECT    5    6    6   12
CONECT    6    7
CONECT    7    8   53   54
CONECT    8    9   55   56
CONECT    9   10   10   11
CONECT   11   57
CONECT   12   13   58   59
CONECT   13   14   22   22
CONECT   14   15   60
CONECT   15   16   16   24
CONECT   16   17   22
CONECT   17   18   61   62
CONECT   18   19   63   64
CONECT   19   20   20   21
CONECT   21   65
CONECT   22   23
CONECT   23   66   67   68
CONECT   24   25   69   70
CONECT   25   26   34   34
CONECT   26   27   71
CONECT   27   28   28   36
CONECT   28   29   34
CONECT   29   30   72   73
CONECT   30   31   74   75
CONECT   31   32   32   33
CONECT   33   76
CONECT   34   35
CONECT   35   77   78   79
CONECT   36   37   80   81
CONECT   37   38   42   42
CONECT   38   39   82
CONECT   39   40   40   48
CONECT   40   41   42
CONECT   41   83   84   85
CONECT   42   43
CONECT   43   44   86   87
CONECT   44   45   88   89
CONECT   45   46   46   47
CONECT   47   90
CONECT   48   91   92
END
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SMILES for HMDB0001261 (Coproporphyrinogen III)

CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3
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INCHI for HMDB0001261 (Coproporphyrinogen III)

InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
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Synonyms
ValueSource
3,8,13,17-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionic acidChEBI
5,10,15,20,22,24-Hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acidChEBI
COPROPORPHYRIN IIIChEBI
3,8,13,17-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionateGenerator
5,10,15,20,22,24-Hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoateGenerator
3,8,13,17-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoateHMDB
3,8,13,17-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoic acidHMDB
5,10,15,20,22,24-Hexahydro-3,8,13,17-tetramethyl-2,7,12,18-porphinetetrapropionateHMDB
5,10,15,20,22,24-Hexahydro-3,8,13,17-tetramethyl-2,7,12,18-porphinetetrapropionic acidHMDB
CoproporphyrinogenHMDB
Coproporphyrinogen-IIIHMDB
Chemical FormulaC36H44N4O8
Average Molecular Weight660.7566
Monoisotopic Molecular Weight660.315914404
IUPAC Name3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid
Traditional Name3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid
CAS Registry Number2624-63-7
SMILES
CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3
InChI Identifier
InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChI KeyNIUVHXTXUXOFEB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as porphyrins. Porphyrins are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTetrapyrroles and derivatives
Sub ClassPorphyrins
Direct ParentPorphyrins
Alternative Parents
Substituents
  • Porphyrin
  • Tetracarboxylic acid or derivatives
  • Substituted pyrrole
  • Pyrrole
  • Heteroaromatic compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Azacycle
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Industrial applicationIndirect biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.011 g/LALOGPS
logP1.96ALOGPS
logP4.89ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)3.8ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area212.36 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity181.86 m³·mol⁻¹ChemAxon
Polarizability72.85 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+254.52931661259
DarkChem[M-H]-241.85531661259
AllCCS[M+H]+251.66332859911
AllCCS[M-H]-252.1832859911
DeepCCS[M+H]+247.18930932474
DeepCCS[M-H]-244.86430932474
DeepCCS[M-2H]-277.9530932474
DeepCCS[M+Na]+252.9330932474
AllCCS[M+H]+251.732859911
AllCCS[M+H-H2O]+250.832859911
AllCCS[M+NH4]+252.532859911
AllCCS[M+Na]+252.732859911
AllCCS[M-H]-252.232859911
AllCCS[M+Na-2H]-255.732859911
AllCCS[M+HCOO]-259.632859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.6.32 minutes32390414
Predicted by Siyang on May 30, 202216.6498 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.38 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid2893.2 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid174.5 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid233.6 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid157.6 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid247.1 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid702.6 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid642.0 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)94.4 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid1520.2 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid846.2 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid2193.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid467.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid491.3 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate193.3 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA111.8 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water11.5 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Coproporphyrinogen IIICC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N35811.9Standard polar33892256
Coproporphyrinogen IIICC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N34642.6Standard non polar33892256
Coproporphyrinogen IIICC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N36292.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Coproporphyrinogen III,1TMS,isomer #1CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]35779.9Semi standard non polar33892256
Coproporphyrinogen III,1TMS,isomer #2CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]35779.9Semi standard non polar33892256
Coproporphyrinogen III,1TMS,isomer #3CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]35780.0Semi standard non polar33892256
Coproporphyrinogen III,1TMS,isomer #4CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)[NH]35779.9Semi standard non polar33892256
Coproporphyrinogen III,1TMS,isomer #5CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5897.5Semi standard non polar33892256
Coproporphyrinogen III,1TMS,isomer #6CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35905.4Semi standard non polar33892256
Coproporphyrinogen III,1TMS,isomer #7CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35897.7Semi standard non polar33892256
Coproporphyrinogen III,1TMS,isomer #8CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35889.8Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #1CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)[NH]35699.0Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #10CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5792.0Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #11CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35801.3Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #12CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35790.8Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #13CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35788.4Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #14CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)[NH]35699.8Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #15CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5792.1Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #16CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35795.2Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #17CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35797.3Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #18CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35788.2Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #19CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5785.6Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #2CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]35699.0Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #20CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35802.0Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #21CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35797.1Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #22CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35788.2Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #23CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5946.2Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #24CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5932.7Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #25CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5934.4Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #26CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5932.3Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #27CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35948.6Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #28CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5952.6Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #3CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]35699.0Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #4CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5792.0Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #5CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35801.3Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #6CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35797.1Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #7CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35780.9Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #8CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)[NH]35699.2Semi standard non polar33892256
Coproporphyrinogen III,2TMS,isomer #9CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]35699.5Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #1CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)[NH]35643.5Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #10CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35723.7Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #11CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35709.0Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #12CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5720.0Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #13CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35726.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #14CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35716.5Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #15CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35708.5Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #16CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5839.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #17CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5826.8Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #18CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5823.4Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #19CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5819.9Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #2CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)[NH]35643.5Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #20CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35843.2Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #21CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5840.7Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #22CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)[NH]35643.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #23CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5712.2Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #24CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35726.8Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #25CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35716.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #26CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35716.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #27CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5720.3Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #28CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35719.8Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #29CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35716.3Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #3CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5712.3Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #30CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35716.5Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #31CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5839.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #32CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5820.0Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #33CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5830.1Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #34CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5826.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #35CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35836.4Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #36CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5840.7Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #37CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5712.5Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #38CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35719.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #39CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35723.8Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #4CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35726.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #40CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35716.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #41CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5832.2Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #42CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5826.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #43CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5829.9Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #44CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5820.0Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #45CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35836.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #46CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5848.0Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #47CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5832.4Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #48CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5820.0Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #49CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5823.4Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #5CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35723.8Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #50CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)N5[Si](C)(C)C)[NH]4)N3[Si](C)(C)C5826.5Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #51CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)[NH]35843.2Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #52CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)N3[Si](C)(C)C5847.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #53CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5980.8Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #54CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5985.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #55CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5994.2Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #56CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C)N4[Si](C)(C)C)N3[Si](C)(C)C5999.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #6CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35709.7Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #7CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]35643.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #8CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C5720.6Semi standard non polar33892256
Coproporphyrinogen III,3TMS,isomer #9CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O[Si](C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C)[NH]35719.6Semi standard non polar33892256
Coproporphyrinogen III,1TBDMS,isomer #1CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]36041.4Semi standard non polar33892256
Coproporphyrinogen III,1TBDMS,isomer #2CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]36041.4Semi standard non polar33892256
Coproporphyrinogen III,1TBDMS,isomer #3CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]36042.0Semi standard non polar33892256
Coproporphyrinogen III,1TBDMS,isomer #4CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C(C)(C)C)[NH]2)[NH]5)[NH]4)[NH]36042.0Semi standard non polar33892256
Coproporphyrinogen III,1TBDMS,isomer #5CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C(C)(C)C6085.7Semi standard non polar33892256
Coproporphyrinogen III,1TBDMS,isomer #6CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36094.7Semi standard non polar33892256
Coproporphyrinogen III,1TBDMS,isomer #7CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36085.0Semi standard non polar33892256
Coproporphyrinogen III,1TBDMS,isomer #8CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36075.6Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #1CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C(C)(C)C)[NH]2)[NH]5)[NH]4)[NH]36220.3Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #10CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C(C)(C)C6247.8Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #11CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36254.2Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #12CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36243.6Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #13CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36243.8Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #14CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C(C)(C)C)[NH]2)[NH]5)[NH]4)[NH]36221.0Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #15CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C(C)(C)C)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C(C)(C)C6248.4Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #16CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36247.9Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #17CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36250.6Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #18CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C(C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36243.6Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #19CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C(C)(C)C6241.4Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #2CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]36220.5Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #20CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36255.4Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #21CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C(C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36250.3Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #22CC1=C2CC3=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36243.3Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #23CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C6340.8Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #24CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)N3[Si](C)(C)C(C)(C)C6325.9Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #25CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C6327.7Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #26CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C(C)(C)C)[NH]4)N3[Si](C)(C)C(C)(C)C6325.5Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #27CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)N5[Si](C)(C)C(C)(C)C)N4[Si](C)(C)C(C)(C)C)[NH]36341.1Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #28CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C6345.8Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #3CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC4=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]36219.7Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #4CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)N3[Si](C)(C)C(C)(C)C6247.7Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #5CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(C)C(CCC(=O)O)=C(CC5=C(C)C(CCC(=O)O)=C(CC(=C1CCC(=O)O[Si](C)(C)C(C)(C)C)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36254.4Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #6CC1=C2CC3=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC4=C(CCC(=O)O)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36250.6Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #7CC1=C2CC3=C(CCC(=O)O)C(C)=C(CC4=C(C)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)N4[Si](C)(C)C(C)(C)C)[NH]36236.8Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #8CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC5=C(CCC(=O)O)C(C)=C(CC(=C1CCC(=O)O[Si](C)(C)C(C)(C)C)[NH]2)[NH]5)[NH]4)[NH]36220.5Semi standard non polar33892256
Coproporphyrinogen III,2TBDMS,isomer #9CC1=C2CC3=C(C)C(CCC(=O)O)=C(CC4=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC5=C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=C(CC(=C1CCC(=O)O)[NH]2)[NH]5)[NH]4)[NH]36220.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (Non-derivatized) - 70eV, Positivesplash10-0uxu-1000029000-41e3094ebb1945eeb0492017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Coproporphyrinogen III GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 10V, Positive-QTOFsplash10-002f-0000049000-0387f74262a47cf811212015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 20V, Positive-QTOFsplash10-05mn-0000095000-92704e3251119447de7c2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 40V, Positive-QTOFsplash10-0a4i-0000190000-117c439eaa250aa4b3b32015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 10V, Positive-QTOFsplash10-002f-0000049000-0387f74262a47cf811212015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 20V, Positive-QTOFsplash10-05mn-0000095000-92704e3251119447de7c2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 40V, Positive-QTOFsplash10-0a4i-0000190000-117c439eaa250aa4b3b32015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 10V, Negative-QTOFsplash10-052f-0000029000-96c0bca58c9caf08416f2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 20V, Negative-QTOFsplash10-052g-1000079000-1da57e7f8a138a6c55162015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 40V, Negative-QTOFsplash10-052g-7000097000-2c52075e18d7d944ae802015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 10V, Negative-QTOFsplash10-052f-0000029000-96c0bca58c9caf08416f2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 20V, Negative-QTOFsplash10-052g-1000079000-1da57e7f8a138a6c55162015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 40V, Negative-QTOFsplash10-052g-7000097000-2c52075e18d7d944ae802015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 10V, Negative-QTOFsplash10-0a4l-0000019000-0ab4e0263cb7a6f3f8ff2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 20V, Negative-QTOFsplash10-05te-0000096000-dbcc904bd06bb15770cf2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 40V, Negative-QTOFsplash10-014i-0000090000-873dcdb0fbed0fef5d752021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 10V, Positive-QTOFsplash10-0006-0000019000-5432645efaaa860e57702021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 20V, Positive-QTOFsplash10-003u-0000098000-e73b7cc718729b01bbe42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Coproporphyrinogen III 40V, Positive-QTOFsplash10-00kb-1000092000-b034ed98f0385ea7fadb2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB04461
Phenol Explorer Compound IDNot Available
FooDB IDFDB022518
KNApSAcK IDC00007284
Chemspider ID315
KEGG Compound IDC03263
BioCyc IDCOPROPORPHYRINOGEN_III
BiGG ID41515
Wikipedia LinkCoproporphyrinogen III
METLIN ID6116
PubChem Compound321
PDB IDNot Available
ChEBI ID15439
Food Biomarker OntologyNot Available
VMH IDCPPPG3
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceShoolingin-Jordan, Peter M. The biosynthesis of coproporphyrinogen III. Porphyrin Handbook (2003), 12 33-74.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Doss MO: Porphyrinurias and occupational disease. Ann N Y Acad Sci. 1987;514:204-18. [PubMed:3327428 ]
  2. Winkelman JW, Collins GH: Neurotoxicity of tetraphenylporphinesulfonate TPPS4 and its relation to photodynamic therapy. Photochem Photobiol. 1987 Nov;46(5):801-7. [PubMed:3441503 ]

Enzymes

Enzyme Details
1. Uroporphyrinogen decarboxylase
General function:
Involved in uroporphyrinogen decarboxylase activity
Specific function:
Catalyzes the decarboxylation of four acetate groups of uroporphyrinogen-III to yield coproporphyrinogen-III.
Gene Name:
UROD
Uniprot ID:
P06132
Molecular weight:
40786.58
Reactions
Uroporphyrinogen III → Coproporphyrinogen III + CO(2)details
Uroporphyrinogen III → Coproporphyrinogen III + Carbon dioxidedetails
Enzyme Details
2. Coproporphyrinogen-III oxidase, mitochondrial
General function:
Involved in coproporphyrinogen oxidase activity
Specific function:
Key enzyme in heme biosynthesis. Catalyzes the oxidative decarboxylation of propionic acid side chains of rings A and B of coproporphyrinogen III.
Gene Name:
CPOX
Uniprot ID:
P36551
Molecular weight:
50151.605
Reactions
Coproporphyrinogen III + Oxygen + Hydrogen Ion → Protoporphyrinogen IX + CO(2) + Waterdetails
Coproporphyrinogen III + Oxygen → Protoporphyrinogen IX + Carbon dioxide + Waterdetails
Enzyme Details
3. Uroporphyrinogen-III synthase
General function:
Involved in uroporphyrinogen-III synthase activity
Specific function:
Catalyzes cyclization of the linear tetrapyrrole, hydroxymethylbilane, to the macrocyclic uroporphyrinogen III, the branch point for the various sub-pathways leading to the wide diversity of porphyrins. Porphyrins act as cofactors for a multitude of enzymes that perform a variety of processes within the cell such as methionine synthesis (vitamin B12) or oxygen transport (heme).
Gene Name:
UROS
Uniprot ID:
P10746
Molecular weight:
28627.37
Enzyme Details
4. N-acetyltransferase 14
General function:
Involved in N-acetyltransferase activity
Specific function:
Probable acetyltransferase that binds the 5'-GGACTACAG- 3' sequence of coproporphyrinogen oxidase promoter. Able to activate transcription of a reporter construct in vitro
Gene Name:
NAT14
Uniprot ID:
Q8WUY8
Molecular weight:
21650.2