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Showing metabocard for D-Ornithine (HMDB0003374)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-12 19:50:22 UTC
Update Date2021-09-14 15:45:46 UTC
HMDB IDHMDB0003374
Secondary Accession Numbers
  • HMDB03374
Metabolite Identification
Common NameD-Ornithine
DescriptionD-Ornithine belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. D-Ornithine is a very strong basic compound (based on its pKa). D-ornithine can be converted into 5-amino-2-oxopentanoic acid through the action of the enzyme D-amino-acid oxidase. In humans, D-ornithine is involved in d-arginine and d-ornithine metabolism. Outside of the human body, D-Ornithine has been detected, but not quantified in, several different foods, such as cow milks, cow milks, cow milks, and cow milks. This could make D-ornithine a potential biomarker for the consumption of these foods. The D-enantiomer of ornithine.
Structure
Data?1582752273
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0003374 (D-Ornithine)

      
  Mrv1652311091717012D          

  9  8  0  0  1  0            999 V2000
   25.1625  -14.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4480  -13.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7336  -15.0877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8757  -14.2627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7336  -14.2627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5902  -13.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0191  -13.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3046  -14.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4480  -13.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  5  3  1  6  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
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3D MOL for HMDB0003374 (D-Ornithine)

HMDB0003374
     RDKit          3D
D-Ornithine
 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.1487   -0.2607    0.3447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134    0.2789    0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444   -0.2575   -0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649    0.2881   -0.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587   -0.0714    0.3571 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2542   -1.5125    0.4901 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288    0.4963    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5252   -0.2707    0.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    1.8621    0.0061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1144   -1.2428   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596    0.3353   -0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685    1.3892    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913    0.0278    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5432    0.0988   -1.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0086   -1.3578   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8710   -0.2387   -1.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118    1.3539   -1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    0.3436    1.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979   -1.9811   -0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.7579    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    2.4772   -0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  1
  6 19  1  0
  6 20  1  0
  9 21  1  0
M  END
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3D SDF for HMDB0003374 (D-Ornithine)

      
  Mrv1652311091717012D          

  9  8  0  0  1  0            999 V2000
   25.1625  -14.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4480  -13.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7336  -15.0877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8757  -14.2627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7336  -14.2627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5902  -13.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0191  -13.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3046  -14.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4480  -13.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  5  3  1  6  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003374

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCC[C@@H](N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1

> <INCHI_KEY>
AHLPHDHHMVZTML-SCSAIBSYSA-N

> <FORMULA>
C5H12N2O2

> <MOLECULAR_WEIGHT>
132.161

> <EXACT_MASS>
132.089877638

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
13.736745607390656

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2,5-diaminopentanoic acid

> <ALOGPS_LOGP>
-3.64

> <JCHEM_LOGP>
-3.6582876081320586

> <ALOGPS_LOGS>
0.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.666422703275891

> <JCHEM_PKA_STRONGEST_BASIC>
10.2868213384358

> <JCHEM_POLAR_SURFACE_AREA>
89.33999999999999

> <JCHEM_REFRACTIVITY>
33.2085

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.72e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-(-)-ornithine

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0003374 (D-Ornithine)

HMDB0003374
     RDKit          3D
D-Ornithine
 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.1487   -0.2607    0.3447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134    0.2789    0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444   -0.2575   -0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649    0.2881   -0.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587   -0.0714    0.3571 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2542   -1.5125    0.4901 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288    0.4963    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5252   -0.2707    0.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    1.8621    0.0061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1144   -1.2428   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596    0.3353   -0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685    1.3892    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913    0.0278    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5432    0.0988   -1.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0086   -1.3578   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8710   -0.2387   -1.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118    1.3539   -1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    0.3436    1.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979   -1.9811   -0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.7579    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    2.4772   -0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  1
  6 19  1  0
  6 20  1  0
  9 21  1  0
M  END
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PDB for HMDB0003374 (D-Ornithine)

HEADER    PROTEIN                                 09-NOV-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-NOV-17         0                                  
HETATM    1  O   UNK     0      46.970 -26.624   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      45.636 -24.314   0.000  0.00  0.00           O+0
HETATM    3  N   UNK     0      44.303 -28.164   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0      38.968 -26.624   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      44.303 -26.624   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      40.302 -25.854   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      42.969 -25.854   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      41.635 -26.624   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      45.636 -25.854   0.000  0.00  0.00           C+0
CONECT    1    9                                                            
CONECT    2    9                                                            
CONECT    3    5                                                            
CONECT    4    6                                                            
CONECT    5    3    7    9                                                  
CONECT    6    4    8                                                       
CONECT    7    5    8                                                       
CONECT    8    6    7                                                       
CONECT    9    1    2    5                                                  
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for HMDB0003374 (D-Ornithine)

COMPND    HMDB0003374
HETATM    1  N1  UNL     1      -3.149  -0.261   0.345  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.813   0.279   0.345  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.044  -0.258  -0.842  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.365   0.288  -0.876  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.159  -0.071   0.357  1.00  0.00           C  
HETATM    6  N2  UNL     1       1.254  -1.513   0.490  1.00  0.00           N  
HETATM    7  C5  UNL     1       2.529   0.496   0.159  1.00  0.00           C  
HETATM    8  O1  UNL     1       3.525  -0.271   0.132  1.00  0.00           O  
HETATM    9  O2  UNL     1       2.705   1.862   0.006  1.00  0.00           O  
HETATM   10  H1  UNL     1      -3.114  -1.243  -0.001  1.00  0.00           H  
HETATM   11  H2  UNL     1      -3.760   0.335  -0.248  1.00  0.00           H  
HETATM   12  H3  UNL     1      -1.868   1.389   0.263  1.00  0.00           H  
HETATM   13  H4  UNL     1      -1.291   0.028   1.294  1.00  0.00           H  
HETATM   14  H5  UNL     1      -1.543   0.099  -1.766  1.00  0.00           H  
HETATM   15  H6  UNL     1      -1.009  -1.358  -0.812  1.00  0.00           H  
HETATM   16  H7  UNL     1       0.871  -0.239  -1.737  1.00  0.00           H  
HETATM   17  H8  UNL     1       0.412   1.354  -1.112  1.00  0.00           H  
HETATM   18  H9  UNL     1       0.722   0.344   1.269  1.00  0.00           H  
HETATM   19  H10 UNL     1       0.898  -1.981  -0.368  1.00  0.00           H  
HETATM   20  H11 UNL     1       2.242  -1.758   0.684  1.00  0.00           H  
HETATM   21  H12 UNL     1       1.910   2.477  -0.114  1.00  0.00           H  
CONECT    1    2   10   11
CONECT    2    3   12   13
CONECT    3    4   14   15
CONECT    4    5   16   17
CONECT    5    6    7   18
CONECT    6   19   20
CONECT    7    8    8    9
CONECT    9   21
END
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SMILES for HMDB0003374 (D-Ornithine)

NCCC[C@@H](N)C(O)=O
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INCHI for HMDB0003374 (D-Ornithine)

InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(R)-OrnithineChEBI
(2R)-2,5-DiaminopentanoateHMDB
(2R)-2,5-Diaminopentanoic acidHMDB
OrnithineHMDB
Chemical FormulaC5H12N2O2
Average Molecular Weight132.161
Monoisotopic Molecular Weight132.089877638
IUPAC Name(2R)-2,5-diaminopentanoic acid
Traditional NameL-(-)-ornithine
CAS Registry Number348-66-3
SMILES
NCCC[C@@H](N)C(O)=O
InChI Identifier
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1
InChI KeyAHLPHDHHMVZTML-SCSAIBSYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentD-alpha-amino acids
Alternative Parents
Substituents
  • D-alpha-amino acid
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-MetCCS_train_neg126.73930932474
[M-H]-Not Available128.3http://allccs.zhulab.cn/database/detail?ID=AllCCS00000057
[M+H]+Not Available127.7http://allccs.zhulab.cn/database/detail?ID=AllCCS00000057
Predicted Molecular Properties
PropertyValueSource
Water Solubility172 g/LALOGPS
logP-3.6ALOGPS
logP-3.7ChemAxon
logS0.11ALOGPS
pKa (Strongest Acidic)2.67ChemAxon
pKa (Strongest Basic)10.29ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area89.34 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity33.21 m³·mol⁻¹ChemAxon
Polarizability13.74 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+128.62831661259
DarkChem[M-H]-124.43531661259
DeepCCS[M+H]+126.62530932474
DeepCCS[M-H]-123.40230932474
DeepCCS[M-2H]-160.3430932474
DeepCCS[M+Na]+135.27330932474
AllCCS[M+H]+130.732859911
AllCCS[M+H-H2O]+126.732859911
AllCCS[M+NH4]+134.632859911
AllCCS[M+Na]+135.732859911
AllCCS[M-H]-125.032859911
AllCCS[M+Na-2H]-127.632859911
AllCCS[M+HCOO]-130.532859911

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, 2022.1.02 minutes32390414
Predicted by Siyang on May 30, 20228.6723 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20229.09 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid453.9 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid363.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid294.0 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid40.6 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid184.3 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid66.6 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid273.2 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 Acid227.6 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)1002.7 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid550.9 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid36.8 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid558.9 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid196.3 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid288.2 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate962.9 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA719.5 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water428.5 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-OrnithineNCCC[C@@H](N)C(O)=O1984.9Standard polar33892256
D-OrnithineNCCC[C@@H](N)C(O)=O1370.3Standard non polar33892256
D-OrnithineNCCC[C@@H](N)C(O)=O1601.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Ornithine,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](N)CCCN1369.7Semi standard non polar33892256
D-Ornithine,1TMS,isomer #2C[Si](C)(C)NCCC[C@@H](N)C(=O)O1525.7Semi standard non polar33892256
D-Ornithine,1TMS,isomer #3C[Si](C)(C)N[C@H](CCCN)C(=O)O1479.8Semi standard non polar33892256
D-Ornithine,2TMS,isomer #1C[Si](C)(C)N[C@H](CCCN)C(=O)O[Si](C)(C)C1475.8Semi standard non polar33892256
D-Ornithine,2TMS,isomer #1C[Si](C)(C)N[C@H](CCCN)C(=O)O[Si](C)(C)C1570.4Standard non polar33892256
D-Ornithine,2TMS,isomer #1C[Si](C)(C)N[C@H](CCCN)C(=O)O[Si](C)(C)C2210.7Standard polar33892256
D-Ornithine,2TMS,isomer #2C[Si](C)(C)NCCC[C@@H](N)C(=O)O[Si](C)(C)C1521.1Semi standard non polar33892256
D-Ornithine,2TMS,isomer #2C[Si](C)(C)NCCC[C@@H](N)C(=O)O[Si](C)(C)C1634.2Standard non polar33892256
D-Ornithine,2TMS,isomer #2C[Si](C)(C)NCCC[C@@H](N)C(=O)O[Si](C)(C)C2225.8Standard polar33892256
D-Ornithine,2TMS,isomer #3C[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C)C(=O)O1627.3Semi standard non polar33892256
D-Ornithine,2TMS,isomer #3C[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C)C(=O)O1637.6Standard non polar33892256
D-Ornithine,2TMS,isomer #3C[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C)C(=O)O2143.0Standard polar33892256
D-Ornithine,2TMS,isomer #4C[Si](C)(C)N(CCC[C@@H](N)C(=O)O)[Si](C)(C)C1748.7Semi standard non polar33892256
D-Ornithine,2TMS,isomer #4C[Si](C)(C)N(CCC[C@@H](N)C(=O)O)[Si](C)(C)C1667.5Standard non polar33892256
D-Ornithine,2TMS,isomer #4C[Si](C)(C)N(CCC[C@@H](N)C(=O)O)[Si](C)(C)C2661.8Standard polar33892256
D-Ornithine,2TMS,isomer #5C[Si](C)(C)N([C@H](CCCN)C(=O)O)[Si](C)(C)C1629.3Semi standard non polar33892256
D-Ornithine,2TMS,isomer #5C[Si](C)(C)N([C@H](CCCN)C(=O)O)[Si](C)(C)C1592.2Standard non polar33892256
D-Ornithine,2TMS,isomer #5C[Si](C)(C)N([C@H](CCCN)C(=O)O)[Si](C)(C)C2362.3Standard polar33892256
D-Ornithine,3TMS,isomer #1C[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1623.6Semi standard non polar33892256
D-Ornithine,3TMS,isomer #1C[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1744.0Standard non polar33892256
D-Ornithine,3TMS,isomer #1C[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1804.3Standard polar33892256
D-Ornithine,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](CCCN)N([Si](C)(C)C)[Si](C)(C)C1672.5Semi standard non polar33892256
D-Ornithine,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](CCCN)N([Si](C)(C)C)[Si](C)(C)C1698.9Standard non polar33892256
D-Ornithine,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](CCCN)N([Si](C)(C)C)[Si](C)(C)C2101.5Standard polar33892256
D-Ornithine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](N)CCCN([Si](C)(C)C)[Si](C)(C)C1741.7Semi standard non polar33892256
D-Ornithine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](N)CCCN([Si](C)(C)C)[Si](C)(C)C1792.4Standard non polar33892256
D-Ornithine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](N)CCCN([Si](C)(C)C)[Si](C)(C)C2148.9Standard polar33892256
D-Ornithine,3TMS,isomer #4C[Si](C)(C)N[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O1832.5Semi standard non polar33892256
D-Ornithine,3TMS,isomer #4C[Si](C)(C)N[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O1774.5Standard non polar33892256
D-Ornithine,3TMS,isomer #4C[Si](C)(C)N[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2041.1Standard polar33892256
D-Ornithine,3TMS,isomer #5C[Si](C)(C)NCCC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1785.9Semi standard non polar33892256
D-Ornithine,3TMS,isomer #5C[Si](C)(C)NCCC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1764.1Standard non polar33892256
D-Ornithine,3TMS,isomer #5C[Si](C)(C)NCCC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1949.7Standard polar33892256
D-Ornithine,4TMS,isomer #1C[Si](C)(C)N[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1820.3Semi standard non polar33892256
D-Ornithine,4TMS,isomer #1C[Si](C)(C)N[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1850.6Standard non polar33892256
D-Ornithine,4TMS,isomer #1C[Si](C)(C)N[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1792.8Standard polar33892256
D-Ornithine,4TMS,isomer #2C[Si](C)(C)NCCC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1791.2Semi standard non polar33892256
D-Ornithine,4TMS,isomer #2C[Si](C)(C)NCCC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1855.4Standard non polar33892256
D-Ornithine,4TMS,isomer #2C[Si](C)(C)NCCC[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1754.0Standard polar33892256
D-Ornithine,4TMS,isomer #3C[Si](C)(C)N(CCC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1975.3Semi standard non polar33892256
D-Ornithine,4TMS,isomer #3C[Si](C)(C)N(CCC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1900.5Standard non polar33892256
D-Ornithine,4TMS,isomer #3C[Si](C)(C)N(CCC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1923.8Standard polar33892256
D-Ornithine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2049.1Semi standard non polar33892256
D-Ornithine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1961.7Standard non polar33892256
D-Ornithine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1759.3Standard polar33892256
D-Ornithine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CCCN1600.5Semi standard non polar33892256
D-Ornithine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@@H](N)C(=O)O1785.9Semi standard non polar33892256
D-Ornithine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@H](CCCN)C(=O)O1729.7Semi standard non polar33892256
D-Ornithine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](CCCN)C(=O)O[Si](C)(C)C(C)(C)C1964.4Semi standard non polar33892256
D-Ornithine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](CCCN)C(=O)O[Si](C)(C)C(C)(C)C1967.2Standard non polar33892256
D-Ornithine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](CCCN)C(=O)O[Si](C)(C)C(C)(C)C2274.0Standard polar33892256
D-Ornithine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C1986.6Semi standard non polar33892256
D-Ornithine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C2036.4Standard non polar33892256
D-Ornithine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C2309.0Standard polar33892256
D-Ornithine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O2128.2Semi standard non polar33892256
D-Ornithine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O2022.6Standard non polar33892256
D-Ornithine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O2230.0Standard polar33892256
D-Ornithine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCC[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2177.6Semi standard non polar33892256
D-Ornithine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCC[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2078.8Standard non polar33892256
D-Ornithine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCC[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2578.9Standard polar33892256
D-Ornithine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@H](CCCN)C(=O)O)[Si](C)(C)C(C)(C)C2064.3Semi standard non polar33892256
D-Ornithine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@H](CCCN)C(=O)O)[Si](C)(C)C(C)(C)C2002.8Standard non polar33892256
D-Ornithine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@H](CCCN)C(=O)O)[Si](C)(C)C(C)(C)C2332.3Standard polar33892256
D-Ornithine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2276.6Semi standard non polar33892256
D-Ornithine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2287.0Standard non polar33892256
D-Ornithine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2164.2Standard polar33892256
D-Ornithine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2345.8Semi standard non polar33892256
D-Ornithine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2278.6Standard non polar33892256
D-Ornithine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2290.5Standard polar33892256
D-Ornithine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2390.3Semi standard non polar33892256
D-Ornithine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2377.4Standard non polar33892256
D-Ornithine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2347.9Standard polar33892256
D-Ornithine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2508.0Semi standard non polar33892256
D-Ornithine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2342.2Standard non polar33892256
D-Ornithine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2294.4Standard polar33892256
D-Ornithine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2477.7Semi standard non polar33892256
D-Ornithine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2323.5Standard non polar33892256
D-Ornithine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2232.9Standard polar33892256
D-Ornithine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2680.1Semi standard non polar33892256
D-Ornithine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2568.7Standard non polar33892256
D-Ornithine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2258.5Standard polar33892256
D-Ornithine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2688.3Semi standard non polar33892256
D-Ornithine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2553.2Standard non polar33892256
D-Ornithine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2233.1Standard polar33892256
D-Ornithine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2813.9Semi standard non polar33892256
D-Ornithine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2626.9Standard non polar33892256
D-Ornithine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2303.3Standard polar33892256
D-Ornithine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3056.3Semi standard non polar33892256
D-Ornithine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2818.2Standard non polar33892256
D-Ornithine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2312.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - D-Ornithine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001u-9000000000-deb45bcb4280a1e67a8f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Ornithine GC-MS (1 TMS) - 70eV, Positivesplash10-0089-9300000000-bbfdea03043e52ad8a152017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Ornithine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Ornithine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine LC-ESI-QQ , positive-QTOFsplash10-00lr-3900000000-1b22374231fec22d1e202017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine LC-ESI-QQ , positive-QTOFsplash10-00di-9300000000-0ce9f8eaa9b98ad18d912017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine LC-ESI-QQ , positive-QTOFsplash10-00di-9000000000-45d863665ba8a53004f02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine LC-ESI-QQ , positive-QTOFsplash10-00di-9000000000-b4769e364cb748464ebe2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine LC-ESI-QQ , positive-QTOFsplash10-00di-9000000000-aaadcea853770440853c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 40V, Positive-QTOFsplash10-00di-9000000000-1aeb351c8832822b88f72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 40V, Positive-QTOFsplash10-00di-9000000000-64dc476dd1cd337386ef2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 20V, Positive-QTOFsplash10-00di-9000000000-ef7c20aed1e9a71b14322021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 10V, Positive-QTOFsplash10-00di-9300000000-e36de55c16d7a2ed148f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 10V, Positive-QTOFsplash10-00xr-9700000000-a43025711954faa9935f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 20V, Positive-QTOFsplash10-00di-9000000000-1176f91c41c4400d1b5e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 40V, Positive-QTOFsplash10-00di-9000000000-f2bc6d43ca19a87e53ab2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 35V, Positive-QTOFsplash10-00xr-8900000000-03b469eaf5eacea319d62021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 20V, Negative-QTOFsplash10-00di-9000000000-09147e6ddaef03f93f152021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 35V, Negative-QTOFsplash10-001i-0900000000-0e3df57340c74126c5e72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 40V, Negative-QTOFsplash10-00b9-9000000000-d9ab801d36fbc1ca813f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 10V, Negative-QTOFsplash10-001i-3900000000-ae191a26241edfb2a6932021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 10V, Positive-QTOFsplash10-00di-9400000000-9e4d5ca58ccec4283d212021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Ornithine 20V, Positive-QTOFsplash10-00di-9000000000-8d64fc8fd06f41ed0f682021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Ornithine 10V, Positive-QTOFsplash10-015i-7900000000-01f75740979c473383a02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Ornithine 20V, Positive-QTOFsplash10-00dr-9100000000-8f2f412b16c89d59e2362017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Ornithine 40V, Positive-QTOFsplash10-00dl-9000000000-a216a8d4439f992b205b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Ornithine 10V, Negative-QTOFsplash10-001i-1900000000-59329678720e6407d7622017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Ornithine 20V, Negative-QTOFsplash10-01qi-4900000000-8f53e4b8a940aa83cd3f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Ornithine 40V, Negative-QTOFsplash10-00di-9000000000-5cfb47a9082ed47a2fa12017-09-01Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Peroxisome
Biospecimen Locations
  • Blood
  • Feces
  • Saliva
Tissue Locations
  • Epidermis
  • Fibroblasts
  • Intestine
  • Liver
  • Placenta
  • Skeletal Muscle
  • Spleen
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified89.0 +/- 28.0 uMAdult (>18 years old)BothNormal details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified62.0 +/- 28.0 uMAdult (>18 years old)Both
Short bowel syndrome		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
Associated Disorders and Diseases
Disease References
Short bowel syndrome
  1. Pita AM, Fernandez-Bustos A, Rodes M, Arranz JA, Fisac C, Virgili N, Soler J, Wakabayashi Y: Orotic aciduria and plasma urea cycle-related amino acid alterations in short bowel syndrome, evoked by an arginine-free diet. JPEN J Parenter Enteral Nutr. 2004 Sep-Oct;28(5):315-23. [PubMed:15449570 ]
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023157
KNApSAcK IDNot Available
Chemspider ID64236
KEGG Compound IDC00515
BioCyc IDCPD-217
BiGG ID2263101
Wikipedia LinkOrnithine
METLIN ID6910
PubChem Compound71082
PDB IDNot Available
ChEBI ID16176
Food Biomarker OntologyNot Available
VMH IDORN_D
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceFurui, Masakatsu; Takahashi, Eiji; Shibatani, Takeji. Microbial manufacture of D-amino acids from racemates. Jpn. Kokai Tokkyo Koho (1998), 13 pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Camacho JA, Rioseco-Camacho N, Andrade D, Porter J, Kong J: Cloning and characterization of human ORNT2: a second mitochondrial ornithine transporter that can rescue a defective ORNT1 in patients with the hyperornithinemia-hyperammonemia-homocitrullinuria syndrome, a urea cycle disorder. Mol Genet Metab. 2003 Aug;79(4):257-71. [PubMed:12948741 ]
  2. Filho JC, Bergstrom J, Stehle P, Furst P: Simultaneous measurements of free amino acid patterns of plasma, muscle and erythrocytes in healthy human subjects. Clin Nutr. 1997 Dec;16(6):299-305. [PubMed:16844612 ]
  3. Mayer UM: [Hyperornithinaemia in patients with retinal dystrophy]. Ophthalmologe. 2003 Jan;100(1):55-61. [PubMed:12557027 ]
  4. Jensen TG, Sullivan DM, Morgan RA, Taichman LB, Nussenblatt RB, Blaese RM, Csaky KG: Retrovirus-mediated gene transfer of ornithine-delta-aminotransferase into keratinocytes from gyrate atrophy patients. Hum Gene Ther. 1997 Nov 20;8(17):2125-32. [PubMed:9414260 ]
  5. Sell DR, Monnier VM: Ornithine is a novel amino acid and a marker of arginine damage by oxoaldehydes in senescent proteins. Ann N Y Acad Sci. 2005 Jun;1043:118-28. [PubMed:16037230 ]
  6. Gokmen SS, Aygit AC, Ayhan MS, Yorulmaz F, Gulen S: Significance of arginase and ornithine in malignant tumors of the human skin. J Lab Clin Med. 2001 May;137(5):340-4. [PubMed:11329531 ]
  7. Deignan JL, Livesay JC, Yoo PK, Goodman SI, O'Brien WE, Iyer RK, Cederbaum SD, Grody WW: Ornithine deficiency in the arginase double knockout mouse. Mol Genet Metab. 2006 Sep-Oct;89(1-2):87-96. Epub 2006 Jun 5. [PubMed:16753325 ]
  8. Lauteala T, Mykkanen J, Sperandeo MP, Gasparini P, Savontaus ML, Simell O, Andria G, Sebastio G, Aula P: Genetic homogeneity of lysinuric protein intolerance. Eur J Hum Genet. 1998 Nov-Dec;6(6):612-5. [PubMed:9887380 ]
  9. Saito A, Noguchi Y, Yoshikawa T, Doi C, Fukuzawa K, Matsumoto A, Ito T, Tsuburaya A, Nagahara N: Gastrectomized patients are in a state of chronic protein malnutrition analyses of 23 amino acids. Hepatogastroenterology. 2001 Mar-Apr;48(38):585-9. [PubMed:11379360 ]
  10. Nefyodov LI, Uglyanitsa KN, Smirnov VY, Karavay AV, Brzosko W: Comparative evaluation of blood plasma and tumor tissue amino acid pool in radiation or neoadjuvant preoperative therapies of breast cancer with the antitumor drug Ukrain. Drugs Exp Clin Res. 2000;26(5-6):231-7. [PubMed:11345030 ]
  11. Rutten EP, Engelen MP, Schols AM, Deutz NE: Skeletal muscle glutamate metabolism in health and disease: state of the art. Curr Opin Clin Nutr Metab Care. 2005 Jan;8(1):41-51. [PubMed:15585999 ]
  12. Vella S, Steiner F, Schlumbom V, Zurbrugg R, Wiesmann UN, Schaffner T, Wermuth B: Mutation of ornithine transcarbamylase (H136R) in a girl with severe intermittent orotic aciduria but normal enzyme activity. J Inherit Metab Dis. 1997 Aug;20(4):517-24. [PubMed:9266387 ]
  13. Sela BA, Zlotnik J, Masos T, Yablonski G, Abraham F: [Gyrate atrophy of choroid and retina, and hyperornithinemia]. Harefuah. 2000 Jan 16;138(2):101-5, 175. [PubMed:10883069 ]
  14. Monnier VM, Sell DR: Prevention and repair of protein damage by the Maillard reaction in vivo. Rejuvenation Res. 2006 Summer;9(2):264-73. [PubMed:16706654 ]
  15. Zhang X, Rimpilainen M, Hoffmann B, Simelyte E, Aho H, Toivanen P: Experimental chronic arthritis and granulomatous inflammation induced by bifidobacterium cell walls. Scand J Immunol. 2001 Jul-Aug;54(1-2):171-9. [PubMed:11439164 ]
  16. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Enzymes

Enzyme Details
1. D-amino-acid oxidase
General function:
Involved in D-amino-acid oxidase activity
Specific function:
Regulates the level of the neuromodulator D-serine in the brain. Has high activity towards D-DOPA and contributes to dopamine synthesis. Could act as a detoxifying agent which removes D-amino acids accumulated during aging. Acts on a variety of D-amino acids with a preference for those having small hydrophobic side chains followed by those bearing polar, aromatic, and basic groups. Does not act on acidic amino acids.
Gene Name:
DAO
Uniprot ID:
P14920
Molecular weight:
39473.75
Reactions
D-Ornithine + Water + Oxygen → 5-Amino-2-oxopentanoic acid + Ammonia + Hydrogen peroxidedetails