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Showing metabocard for Ribose-5-phosphate (HMDB0257215)

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enzymes (26) Show 26 proteins
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 17:59:48 UTC
Update Date2022-11-23 22:29:19 UTC
HMDB IDHMDB0257215
Secondary Accession NumbersNone
Metabolite Identification
Common NameRibose-5-phosphate
DescriptionRibose-5-phosphate belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. In humans, ribose-5-phosphate is involved in the metabolic disorder called the transaldolase deficiency pathway. Ribose-5-phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Ribose-5-phosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). Ribose-5-phosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Ribose-5-phosphate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0257215 (Ribose-5-phosphate)


  Mrv1652309112120002D          

 14 13  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
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3D MOL for HMDB0257215 (Ribose-5-phosphate)

HMDB0257215
     RDKit          3D
ribose-5-phosphate
 25 24  0  0  0  0  0  0  0  0999 V2000
   -3.5397    2.0743   -0.6793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5351    1.4715   -0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    0.3255    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6463   -0.1428    0.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5196   -0.7916   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052   -1.2403   -1.3459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1676   -0.3236   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    0.2033    1.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -1.1714   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -0.3650   -0.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2972   -0.0999    0.1660 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4303   -1.1637    1.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7174    0.3402   -0.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7369    1.3586    0.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6538    1.7754   -1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471    0.7523    1.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8987   -0.0608    1.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092   -1.6326    0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0685   -0.3905   -1.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613    0.6468   -0.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3215   -0.5949    1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9306   -2.0930   -0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -1.4011    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9732    1.2874   -0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6384    1.2356    1.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
 13 24  1  0
 14 25  1  0
M  END
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3D SDF for HMDB0257215 (Ribose-5-phosphate)


  Mrv1652309112120002D          

 14 13  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257215

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(COP(O)(O)=O)C(O)C(O)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)

> <INCHI_KEY>
PPQRONHOSHZGFQ-UHFFFAOYSA-N

> <FORMULA>
C5H11O8P

> <MOLECULAR_WEIGHT>
230.109

> <EXACT_MASS>
230.019154312

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.997986161618968

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2,3,4-trihydroxy-5-oxopentyl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-1.64

> <JCHEM_LOGP>
-3.0615916523333335

> <ALOGPS_LOGS>
-1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.516820448086081

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4910102081094525

> <JCHEM_PKA_STRONGEST_BASIC>
-3.544450846242131

> <JCHEM_POLAR_SURFACE_AREA>
144.52

> <JCHEM_REFRACTIVITY>
42.25599999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.93e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ribose 5-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0257215 (Ribose-5-phosphate)

HMDB0257215
     RDKit          3D
ribose-5-phosphate
 25 24  0  0  0  0  0  0  0  0999 V2000
   -3.5397    2.0743   -0.6793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5351    1.4715   -0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    0.3255    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6463   -0.1428    0.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5196   -0.7916   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052   -1.2403   -1.3459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1676   -0.3236   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    0.2033    1.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -1.1714   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -0.3650   -0.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2972   -0.0999    0.1660 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4303   -1.1637    1.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7174    0.3402   -0.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7369    1.3586    0.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6538    1.7754   -1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471    0.7523    1.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8987   -0.0608    1.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092   -1.6326    0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0685   -0.3905   -1.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613    0.6468   -0.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3215   -0.5949    1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9306   -2.0930   -0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -1.4011    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9732    1.2874   -0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6384    1.2356    1.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
 13 24  1  0
 14 25  1  0
M  END
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PDB for HMDB0257215 (Ribose-5-phosphate)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -0.357   1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       3.644   3.644   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       2.310  -0.206   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.976   3.644   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -1.691   2.104   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0      -3.025   1.334   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0      -4.358   0.564   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -3.795   2.667   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -2.255   0.000   0.000  0.00  0.00           O+0
CONECT    1    2   10                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    4                                                            
CONECT    8    3                                                            
CONECT    9    2                                                            
CONECT   10    1   11                                                       
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
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3D PDB for HMDB0257215 (Ribose-5-phosphate)

COMPND    HMDB0257215
HETATM    1  O1  UNL     1      -3.540   2.074  -0.679  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.535   1.472  -0.501  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.403   0.326   0.490  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.646  -0.143   0.804  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.520  -0.792  -0.112  1.00  0.00           C  
HETATM    6  O3  UNL     1      -2.005  -1.240  -1.346  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.168  -0.324  -0.032  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.018   0.203   1.336  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.068  -1.171  -0.176  1.00  0.00           C  
HETATM   10  O5  UNL     1       1.996  -0.365  -0.925  1.00  0.00           O  
HETATM   11  P1  UNL     1       3.297  -0.100   0.166  1.00  0.00           P  
HETATM   12  O6  UNL     1       3.430  -1.164   1.184  1.00  0.00           O  
HETATM   13  O7  UNL     1       4.717   0.340  -0.589  1.00  0.00           O  
HETATM   14  O8  UNL     1       2.737   1.359   0.962  1.00  0.00           O  
HETATM   15  H1  UNL     1      -1.654   1.775  -1.095  1.00  0.00           H  
HETATM   16  H2  UNL     1      -1.847   0.752   1.327  1.00  0.00           H  
HETATM   17  H3  UNL     1      -3.899  -0.061   1.784  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.709  -1.633   0.655  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.069  -0.390  -1.928  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.061   0.647  -0.632  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.322  -0.595   1.875  1.00  0.00           H  
HETATM   22  H8  UNL     1       0.931  -2.093  -0.764  1.00  0.00           H  
HETATM   23  H9  UNL     1       1.570  -1.401   0.772  1.00  0.00           H  
HETATM   24  H10 UNL     1       4.973   1.287  -0.332  1.00  0.00           H  
HETATM   25  H11 UNL     1       2.638   1.236   1.915  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   15
CONECT    3    4    5   16
CONECT    4   17
CONECT    5    6    7   18
CONECT    6   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   22   23
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   24
CONECT   14   25
END
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SMILES for HMDB0257215 (Ribose-5-phosphate)

OC(COP(O)(O)=O)C(O)C(O)C=O
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INCHI for HMDB0257215 (Ribose-5-phosphate)

InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Ribose-5-phosphoric acidGenerator
[(2,3,4-Trihydroxy-5-oxopentyl)oxy]phosphonateHMDB
Chemical FormulaC5H11O8P
Average Molecular Weight230.109
Monoisotopic Molecular Weight230.019154312
IUPAC Name[(2,3,4-trihydroxy-5-oxopentyl)oxy]phosphonic acid
Traditional Nameribose 5-phosphate
CAS Registry NumberNot Available
SMILES
OC(COP(O)(O)=O)C(O)C(O)C=O
InChI Identifier
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)
InChI KeyPPQRONHOSHZGFQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Beta-hydroxy aldehyde
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Alpha-hydroxyaldehyde
  • Secondary alcohol
  • Polyol
  • Hydrocarbon derivative
  • Aldehyde
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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
logP-1.6ALOGPS
logP-3.1ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)1.49ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area144.52 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity42.26 m³·mol⁻¹ChemAxon
Polarizability18 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
DeepCCS[M+H]+137.79530932474
DeepCCS[M-H]-135.23630932474
DeepCCS[M-2H]-171.02330932474
DeepCCS[M+Na]+146.56230932474
AllCCS[M+H]+149.532859911
AllCCS[M+H-H2O]+146.032859911
AllCCS[M+NH4]+152.732859911
AllCCS[M+Na]+153.632859911
AllCCS[M-H]-140.432859911
AllCCS[M+Na-2H]-141.332859911
AllCCS[M+HCOO]-142.532859911

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, 2022.1.86 minutes32390414
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, 2022.2.0 minutes32390414
Predicted by Siyang on May 30, 20229.8452 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20229.14 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid450.2 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid319.5 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid21.6 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid197.1 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid87.3 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid311.5 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 Acid229.3 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)803.6 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid592.2 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid45.6 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid681.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid198.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid362.1 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate827.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA429.4 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water513.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ribose-5-phosphateOC(COP(O)(O)=O)C(O)C(O)C=O3422.3Standard polar33892256
ribose-5-phosphateOC(COP(O)(O)=O)C(O)C(O)C=O1663.3Standard non polar33892256
ribose-5-phosphateOC(COP(O)(O)=O)C(O)C(O)C=O2033.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
ribose-5-phosphate,4TMS,isomer #1C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2143.6Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #1C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2033.5Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #1C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2395.5Standard polar33892256
ribose-5-phosphate,4TMS,isomer #10C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2214.5Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #10C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2119.3Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #10C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2476.4Standard polar33892256
ribose-5-phosphate,4TMS,isomer #11C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2189.9Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #11C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2136.1Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #11C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2504.8Standard polar33892256
ribose-5-phosphate,4TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2201.4Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2111.8Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2769.0Standard polar33892256
ribose-5-phosphate,4TMS,isomer #3C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O2146.0Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #3C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O2055.5Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #3C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O2325.2Standard polar33892256
ribose-5-phosphate,4TMS,isomer #4C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2207.0Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #4C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2100.9Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #4C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2633.0Standard polar33892256
ribose-5-phosphate,4TMS,isomer #5C[Si](C)(C)OC(C=O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2187.7Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #5C[Si](C)(C)OC(C=O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2073.8Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #5C[Si](C)(C)OC(C=O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2363.3Standard polar33892256
ribose-5-phosphate,4TMS,isomer #6C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2202.4Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #6C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2116.4Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #6C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2647.5Standard polar33892256
ribose-5-phosphate,4TMS,isomer #7C[Si](C)(C)OC=C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2201.2Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #7C[Si](C)(C)OC=C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2133.2Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #7C[Si](C)(C)OC=C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2510.4Standard polar33892256
ribose-5-phosphate,4TMS,isomer #8C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2135.9Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #8C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2070.2Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #8C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2285.4Standard polar33892256
ribose-5-phosphate,4TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2187.9Semi standard non polar33892256
ribose-5-phosphate,4TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2089.1Standard non polar33892256
ribose-5-phosphate,4TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2579.9Standard polar33892256
ribose-5-phosphate,5TMS,isomer #1C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2135.7Semi standard non polar33892256
ribose-5-phosphate,5TMS,isomer #1C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2092.5Standard non polar33892256
ribose-5-phosphate,5TMS,isomer #1C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2160.1Standard polar33892256
ribose-5-phosphate,5TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2180.3Semi standard non polar33892256
ribose-5-phosphate,5TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2104.6Standard non polar33892256
ribose-5-phosphate,5TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2476.1Standard polar33892256
ribose-5-phosphate,5TMS,isomer #3C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2202.0Semi standard non polar33892256
ribose-5-phosphate,5TMS,isomer #3C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2147.6Standard non polar33892256
ribose-5-phosphate,5TMS,isomer #3C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2395.3Standard polar33892256
ribose-5-phosphate,5TMS,isomer #4C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2203.8Semi standard non polar33892256
ribose-5-phosphate,5TMS,isomer #4C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2151.6Standard non polar33892256
ribose-5-phosphate,5TMS,isomer #4C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2409.3Standard polar33892256
ribose-5-phosphate,5TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2196.6Semi standard non polar33892256
ribose-5-phosphate,5TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2124.5Standard non polar33892256
ribose-5-phosphate,5TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2352.0Standard polar33892256
ribose-5-phosphate,6TMS,isomer #1C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2192.2Semi standard non polar33892256
ribose-5-phosphate,6TMS,isomer #1C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2155.5Standard non polar33892256
ribose-5-phosphate,6TMS,isomer #1C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2277.1Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2968.0Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2726.7Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2710.5Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2999.4Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2788.1Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2811.5Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2983.8Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2775.4Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2820.5Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2947.7Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2821.1Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2991.3Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O2954.5Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O2706.8Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O2658.8Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2987.7Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2830.5Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2918.0Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2988.8Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2717.1Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2697.1Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2999.0Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2816.6Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2912.9Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2979.4Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2808.7Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2837.6Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2958.9Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2710.6Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2634.6Standard polar33892256
ribose-5-phosphate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2989.5Semi standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2771.6Standard non polar33892256
ribose-5-phosphate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2857.8Standard polar33892256
ribose-5-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3149.2Semi standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2886.8Standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2633.6Standard polar33892256
ribose-5-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3164.8Semi standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2945.1Standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2846.0Standard polar33892256
ribose-5-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3161.7Semi standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2959.0Standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2812.2Standard polar33892256
ribose-5-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3183.0Semi standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2941.8Standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2816.3Standard polar33892256
ribose-5-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3170.9Semi standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2905.1Standard non polar33892256
ribose-5-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2772.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9100000000-b771da2f9bcb853596152021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose-5-phosphate GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID225
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkRibose 5-phosphate
METLIN IDNot Available
PubChem Compound230
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Only showing the first 10 proteins. There are 26 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Transketolase
General function:
Not Available
Specific function:
Catalyzes the reversible transfer of a two-carbon ketol group from sedoheptulose-7-phosphate to glyceraldehyde-3-phosphate, producing xylulose-5-phosphate and ribose-5-phosphate. Catalyzes the transfer of a two-carbon ketol group from a ketose donor to an aldose acceptor, via a covalent intermediate with the cofactor thiamine pyrophosphate.
Gene Name:
TKT
Uniprot ID:
P9WG25
Molecular weight:
75588.025
Enzyme Details
2. Ribose-5-phosphate isomerase
General function:
Not Available
Specific function:
Involved in the first step of the non-oxidative branch of the pentose phosphate pathway. It catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name:
(REFSEQ) RIBOSE-5-PHOSPHATE ISOMERASE
Uniprot ID:
Q8I3W2
Molecular weight:
26204.305
Enzyme Details
3. Ribose-5-phosphate isomerase A
General function:
Not Available
Specific function:
Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name:
RPIA
Uniprot ID:
Q1JHB8
Molecular weight:
24292.79
Enzyme Details
4. Ribose-5-phosphate isomerase A
General function:
Not Available
Specific function:
Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name:
RPIA
Uniprot ID:
Q6G3V6
Molecular weight:
25160.975
Enzyme Details
5. Ribose-5-phosphate isomerase A
General function:
Not Available
Specific function:
Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name:
RPIA
Uniprot ID:
Q6FZP1
Molecular weight:
25255.035
Enzyme Details
6. Ribose-5-phosphate isomerase A
General function:
Not Available
Specific function:
Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name:
RPIA
Uniprot ID:
Q8DZC6
Molecular weight:
24344.76
Enzyme Details
7. Ribose-5-phosphate isomerase A
General function:
Not Available
Specific function:
Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name:
RPIA
Uniprot ID:
Q8G3X9
Molecular weight:
25268.505
Enzyme Details
8. Ribose-5-phosphate isomerase A
General function:
Not Available
Specific function:
Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name:
RPIA
Uniprot ID:
A0Q756
Molecular weight:
24451.995
Enzyme Details
9. Ribose-5-phosphate isomerase A
General function:
Not Available
Specific function:
Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name:
RPIA
Uniprot ID:
C0M7X6
Molecular weight:
24483.95
Enzyme Details
10. Ribose-5-phosphate isomerase A
General function:
Not Available
Specific function:
Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name:
RPIA
Uniprot ID:
C0ME44
Molecular weight:
24514.94

Only showing the first 10 proteins. There are 26 proteins in total.

Show all enzymes and transporters