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Showing metabocard for Ribose 1-phosphate (HMDB0001489)

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enzymes (5) Show 5 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:44:38 UTC
HMDB IDHMDB0001489
Secondary Accession Numbers
  • HMDB01489
Metabolite Identification
Common NameRibose 1-phosphate
DescriptionRibose 1-phosphate is an intermediate in the metabolism of Pyrimidine and the metabolism of Nicotinate and nicotinamide. It is a substrate for Uridine phosphorylase 2, Phosphoglucomutase, Purine nucleoside phosphorylase and Uridine phosphorylase 1. Ribose 1-phosphate can be formed from guanosine through the action of purine nucleoside phosphorylase. Ribose 1-phosphate can also act as a ribose donor in the synthesis of xanthosine as catalyzed by the same enzyme (purine nucleoside phosphorylase). The presence of guanase, which irreversibly converts guanine to xanthine, affects the overall process of guanosine transformation. As a result of this purine pathway, guanosine is converted into xanthosine, thus overcoming the lack of guanosine deaminase in mammals. The activated ribose moiety in Ribose 1-phosphate which stems from the catabolism of purine nucleosides can be transferred to uracil and, in the presence of ATP, used for the synthesis of pyrimidine nucleotides; therefore, purine nucleosides can act as ribose donors for the salvage of pyrimidine bases. (PMID: 9133638 ).
Structure
Data?1582752205
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001489 (Ribose 1-phosphate)

439236
  Mrv0541 02231216412D          

 14 14  0  0  1  0            999 V2000
    2.6150    1.0082    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2386    0.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.2011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360   -1.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3412   -1.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    1.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    1.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8081    0.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6511   -0.8384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8261   -0.8384    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9060   -0.0538    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5712   -0.0538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6907    0.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13  3  1  1  0  0  0
 10  4  1  1  0  0  0
 11  5  1  1  0  0  0
  6 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  6  0  0  0
M  END
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3D MOL for HMDB0001489 (Ribose 1-phosphate)

HMDB0001489
     RDKit          3D
Ribose 1-phosphate
 25 25  0  0  0  0  0  0  0  0999 V2000
    4.2205   -0.8532   -0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1285   -0.0959   -0.0026 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3430    1.5794   -0.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2984   -0.4797    1.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565   -0.5846   -0.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5889    0.0600   -0.0011 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1366    0.7921   -0.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824    0.6000   -0.6530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9743    1.4316    0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.1531    0.6688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.8862   -0.3129 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1909   -1.5689   -1.4748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3173   -0.9562    0.6256 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2705   -2.2210    0.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649    2.0009    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.4103    1.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197    0.7383    0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0885    0.8341   -1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3915    1.2209    1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8456    2.4942    0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8649    1.9841    0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456   -1.1978    0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.0473   -1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -0.6916    1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -2.8961    1.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13  6  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  1
  8 18  1  6
  9 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  1
 12 23  1  0
 13 24  1  1
 14 25  1  0
M  END
Download

3D SDF for HMDB0001489 (Ribose 1-phosphate)

439236
  Mrv0541 02231216412D          

 14 14  0  0  1  0            999 V2000
    2.6150    1.0082    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2386    0.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.2011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360   -1.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3412   -1.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    1.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    1.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8081    0.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6511   -0.8384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8261   -0.8384    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9060   -0.0538    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5712   -0.0538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6907    0.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13  3  1  1  0  0  0
 10  4  1  1  0  0  0
 11  5  1  1  0  0  0
  6 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0001489

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1

> <INCHI_KEY>
YXJDFQJKERBOBM-TXICZTDVSA-N

> <FORMULA>
C5H11O8P

> <MOLECULAR_WEIGHT>
230.1098

> <EXACT_MASS>
230.01915384

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
18.165952447471312

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-2.04

> <JCHEM_LOGP>
-2.425770307333333

> <ALOGPS_LOGS>
-0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.218897432342067

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1553760127282273

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9811597090040385

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
40.833800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.52e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ribose 1-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0001489 (Ribose 1-phosphate)

HMDB0001489
     RDKit          3D
Ribose 1-phosphate
 25 25  0  0  0  0  0  0  0  0999 V2000
    4.2205   -0.8532   -0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1285   -0.0959   -0.0026 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3430    1.5794   -0.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2984   -0.4797    1.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565   -0.5846   -0.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5889    0.0600   -0.0011 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1366    0.7921   -0.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824    0.6000   -0.6530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9743    1.4316    0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.1531    0.6688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.8862   -0.3129 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1909   -1.5689   -1.4748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3173   -0.9562    0.6256 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2705   -2.2210    0.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649    2.0009    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.4103    1.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197    0.7383    0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0885    0.8341   -1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3915    1.2209    1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8456    2.4942    0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8649    1.9841    0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456   -1.1978    0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.0473   -1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -0.6916    1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -2.8961    1.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13  6  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  1
  8 18  1  6
  9 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  1
 12 23  1  0
 13 24  1  1
 14 25  1  0
M  END
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PDB for HMDB0001489 (Ribose 1-phosphate)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 439236                                            
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  P   UNK     0       4.881   1.882   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0       7.912   0.805   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       5.201   0.375   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       9.587  -2.811   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       6.237  -2.811   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      10.943   1.882   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       4.561   3.388   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       3.375   1.562   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       6.388   2.202   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.682  -1.565   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.142  -1.565   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.158  -0.100   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.666  -0.100   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.623   0.375   0.000  0.00  0.00           C+0
CONECT    1    3    7    8    9                                             
CONECT    2   12   13                                                       
CONECT    3    1   13                                                       
CONECT    4   10                                                            
CONECT    5   11                                                            
CONECT    6   14                                                            
CONECT    7    1                                                            
CONECT    8    1                                                            
CONECT    9    1                                                            
CONECT   10    4   11   12                                                  
CONECT   11    5   10   13                                                  
CONECT   12    2   10   14                                                  
CONECT   13    2    3   11                                                  
CONECT   14    6   12                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END
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3D PDB for HMDB0001489 (Ribose 1-phosphate)

COMPND    HMDB0001489
HETATM    1  O1  UNL     1       4.221  -0.853  -0.746  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.129  -0.096  -0.003  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.343   1.579  -0.185  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.298  -0.480   1.637  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.657  -0.585  -0.626  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.589   0.060  -0.001  1.00  0.00           C  
HETATM    7  O5  UNL     1      -0.137   0.792  -0.907  1.00  0.00           O  
HETATM    8  C2  UNL     1      -1.482   0.600  -0.653  1.00  0.00           C  
HETATM    9  C3  UNL     1      -1.974   1.432   0.513  1.00  0.00           C  
HETATM   10  O6  UNL     1      -3.333   1.153   0.669  1.00  0.00           O  
HETATM   11  C4  UNL     1      -1.521  -0.886  -0.313  1.00  0.00           C  
HETATM   12  O7  UNL     1      -1.191  -1.569  -1.475  1.00  0.00           O  
HETATM   13  C5  UNL     1      -0.317  -0.956   0.626  1.00  0.00           C  
HETATM   14  O8  UNL     1       0.270  -2.221   0.604  1.00  0.00           O  
HETATM   15  H1  UNL     1       2.465   2.001   0.059  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.094  -1.410   1.829  1.00  0.00           H  
HETATM   17  H3  UNL     1       1.020   0.738   0.759  1.00  0.00           H  
HETATM   18  H4  UNL     1      -2.088   0.834  -1.532  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.391   1.221   1.434  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.846   2.494   0.226  1.00  0.00           H  
HETATM   21  H7  UNL     1      -3.865   1.984   0.719  1.00  0.00           H  
HETATM   22  H8  UNL     1      -2.446  -1.198   0.157  1.00  0.00           H  
HETATM   23  H9  UNL     1      -0.521  -1.047  -1.975  1.00  0.00           H  
HETATM   24  H10 UNL     1      -0.647  -0.692   1.642  1.00  0.00           H  
HETATM   25  H11 UNL     1      -0.325  -2.896   1.015  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   15
CONECT    4   16
CONECT    5    6
CONECT    6    7   13   17
CONECT    7    8
CONECT    8    9   11   18
CONECT    9   10   19   20
CONECT   10   21
CONECT   11   12   13   22
CONECT   12   23
CONECT   13   14   24
CONECT   14   25
END
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SMILES for HMDB0001489 (Ribose 1-phosphate)

OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
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INCHI for HMDB0001489 (Ribose 1-phosphate)

InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-O-Phosphono-alpha-D-ribofuranoseChEBI
1-Phospho-alpha-D-ribofuranoseChEBI
D-Ribose 1-phosphateChEBI
1-O-Phosphono-a-D-ribofuranoseGenerator
1-O-Phosphono-α-D-ribofuranoseGenerator
1-Phospho-a-D-ribofuranoseGenerator
1-Phospho-α-D-ribofuranoseGenerator
D-Ribose 1-phosphoric acidGenerator
Ribose 1-phosphoric acidGenerator
1-O-Phosphono-D-ribofuranoseHMDB
a-D-Ribofuranose 1-(dihydrogen phosphate)HMDB
a-D-Ribose 1-phosphateHMDB
alpha-D-Ribofuranose 1-(dihydrogen phosphate)HMDB
alpha-D-Ribofuranose 1-phosphateHMDB
alpha-D-Ribose 1-phosphateHMDB
D-Ribofuranose 1-(dihydrogen phosphate)HMDB
D-Ribofuranose 1-phosphateHMDB
D-Ribose-1-phosphateHMDB
D-Ribose-1PHMDB
Ribofuranose 1-phosphateHMDB
Ribose 1-phosphate, (beta-D)-isomerHMDB
Ribose 1-phosphate, (alpha-D)-isomerHMDB
Chemical FormulaC5H11O8P
Average Molecular Weight230.1098
Monoisotopic Molecular Weight230.01915384
IUPAC Name{[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid
Traditional Nameribose 1-phosphate
CAS Registry Number14075-00-4
SMILES
OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
InChI KeyYXJDFQJKERBOBM-TXICZTDVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentoses
Alternative Parents
Substituents
  • Pentose monosaccharide
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Tetrahydrofuran
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
RoleNot 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 PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility35.2 g/LALOGPS
logP-2ALOGPS
logP-2.4ChemAxon
logS-0.82ALOGPS
pKa (Strongest Acidic)1.16ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.68 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity40.83 m³·mol⁻¹ChemAxon
Polarizability18.17 ųChemAxon
Number of Rings1ChemAxon
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]+150.78831661259
DarkChem[M-H]-144.00231661259
AllCCS[M+H]+150.17532859911
AllCCS[M-H]-140.07632859911
DeepCCS[M+H]+141.5130932474
DeepCCS[M-H]-139.19430932474
DeepCCS[M-2H]-173.83530932474
DeepCCS[M+Na]+148.07230932474
AllCCS[M+H]+150.232859911
AllCCS[M+H-H2O]+146.432859911
AllCCS[M+NH4]+153.732859911
AllCCS[M+Na]+154.732859911
AllCCS[M-H]-140.132859911
AllCCS[M+Na-2H]-140.732859911
AllCCS[M+HCOO]-141.532859911

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, 2022.1.75 minutes32390414
Predicted by Siyang on May 30, 20229.1109 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20228.55 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid421.2 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid441.7 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid301.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid28.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid190.6 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid78.8 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid298.3 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 Acid230.3 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)828.2 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid546.0 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid43.0 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid628.8 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid197.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid320.7 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate852.4 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA481.9 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water439.0 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Ribose 1-phosphateOC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O2830.2Standard polar33892256
Ribose 1-phosphateOC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O1935.8Standard non polar33892256
Ribose 1-phosphateOC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O1958.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ribose 1-phosphate,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O2052.6Semi standard non polar33892256
Ribose 1-phosphate,1TMS,isomer #2C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H]1O2032.9Semi standard non polar33892256
Ribose 1-phosphate,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O)[C@@H]1O2034.1Semi standard non polar33892256
Ribose 1-phosphate,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O2019.2Semi standard non polar33892256
Ribose 1-phosphate,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O2046.6Semi standard non polar33892256
Ribose 1-phosphate,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O[Si](C)(C)C2046.7Semi standard non polar33892256
Ribose 1-phosphate,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H]1O2068.9Semi standard non polar33892256
Ribose 1-phosphate,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C2026.6Semi standard non polar33892256
Ribose 1-phosphate,2TMS,isomer #5C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H]1O2045.9Semi standard non polar33892256
Ribose 1-phosphate,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O2043.2Semi standard non polar33892256
Ribose 1-phosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)O[Si](C)(C)C2025.1Semi standard non polar33892256
Ribose 1-phosphate,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2035.0Semi standard non polar33892256
Ribose 1-phosphate,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O2050.8Semi standard non polar33892256
Ribose 1-phosphate,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C2038.0Semi standard non polar33892256
Ribose 1-phosphate,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O2014.0Semi standard non polar33892256
Ribose 1-phosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2018.3Semi standard non polar33892256
Ribose 1-phosphate,3TMS,isomer #6C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H]1O2013.9Semi standard non polar33892256
Ribose 1-phosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O2014.5Semi standard non polar33892256
Ribose 1-phosphate,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2032.0Semi standard non polar33892256
Ribose 1-phosphate,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2021.2Standard non polar33892256
Ribose 1-phosphate,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2374.1Standard polar33892256
Ribose 1-phosphate,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O2063.4Semi standard non polar33892256
Ribose 1-phosphate,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O2069.6Standard non polar33892256
Ribose 1-phosphate,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O2288.0Standard polar33892256
Ribose 1-phosphate,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C2054.7Semi standard non polar33892256
Ribose 1-phosphate,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C2066.5Standard non polar33892256
Ribose 1-phosphate,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C2265.5Standard polar33892256
Ribose 1-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2031.9Semi standard non polar33892256
Ribose 1-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2038.0Standard non polar33892256
Ribose 1-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2249.4Standard polar33892256
Ribose 1-phosphate,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2064.5Semi standard non polar33892256
Ribose 1-phosphate,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2068.2Standard non polar33892256
Ribose 1-phosphate,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2199.0Standard polar33892256
Ribose 1-phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O2290.6Semi standard non polar33892256
Ribose 1-phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H]1O2272.5Semi standard non polar33892256
Ribose 1-phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O)[C@@H]1O2278.1Semi standard non polar33892256
Ribose 1-phosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O2249.4Semi standard non polar33892256
Ribose 1-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2468.6Semi standard non polar33892256
Ribose 1-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2470.8Semi standard non polar33892256
Ribose 1-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2496.1Semi standard non polar33892256
Ribose 1-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C2470.0Semi standard non polar33892256
Ribose 1-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O2472.3Semi standard non polar33892256
Ribose 1-phosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O2466.7Semi standard non polar33892256
Ribose 1-phosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C2450.7Semi standard non polar33892256
Ribose 1-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2674.4Semi standard non polar33892256
Ribose 1-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2693.1Semi standard non polar33892256
Ribose 1-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2689.2Semi standard non polar33892256
Ribose 1-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2675.6Semi standard non polar33892256
Ribose 1-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2672.8Semi standard non polar33892256
Ribose 1-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O2672.7Semi standard non polar33892256
Ribose 1-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O2669.5Semi standard non polar33892256
Ribose 1-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2890.1Semi standard non polar33892256
Ribose 1-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2763.2Standard non polar33892256
Ribose 1-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2761.9Standard polar33892256
Ribose 1-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2873.4Semi standard non polar33892256
Ribose 1-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2762.6Standard non polar33892256
Ribose 1-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2698.6Standard polar33892256
Ribose 1-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2869.7Semi standard non polar33892256
Ribose 1-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2757.6Standard non polar33892256
Ribose 1-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2680.5Standard polar33892256
Ribose 1-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2869.4Semi standard non polar33892256
Ribose 1-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2751.5Standard non polar33892256
Ribose 1-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2658.5Standard polar33892256
Ribose 1-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3085.8Semi standard non polar33892256
Ribose 1-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2908.2Standard non polar33892256
Ribose 1-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2710.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Ribose 1-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9110000000-add01bb15cc1fd9e2e292016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose 1-phosphate GC-MS (3 TMS) - 70eV, Positivesplash10-014i-2931000000-fe633c386d1b3ab9db9a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose 1-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ribose 1-phosphate 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 - Ribose 1-phosphate LC-ESI-QQ , negative-QTOFsplash10-004i-0090000000-e2c9f6f60320b17dd4792017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ribose 1-phosphate LC-ESI-QQ , negative-QTOFsplash10-01t9-9250000000-029c27941ed85100b53c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ribose 1-phosphate LC-ESI-QQ , negative-QTOFsplash10-004i-9000000000-311ca08c80d0a6c765da2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ribose 1-phosphate LC-ESI-QQ , negative-QTOFsplash10-004i-9000000000-36d97c26c72c69ab56c62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ribose 1-phosphate LC-ESI-QQ , negative-QTOFsplash10-004i-9000000000-08796c6cb24ecefd9abf2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 10V, Positive-QTOFsplash10-0002-9230000000-bf825c0a48e8f3fb1db52015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 20V, Positive-QTOFsplash10-0002-9330000000-af34500034734754adda2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 40V, Positive-QTOFsplash10-0002-9000000000-ea509fab4675ba6387452015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 10V, Negative-QTOFsplash10-004i-9180000000-4449ca89ca00716d8cef2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 20V, Negative-QTOFsplash10-004i-9110000000-c74e6f3e6a87ec4b57fb2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-81a191a3e73e8031cb232015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 10V, Positive-QTOFsplash10-0159-0900000000-6d6c0c7544f77dfb0c412021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 20V, Positive-QTOFsplash10-00lr-7910000000-9441b177b385255d831b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 40V, Positive-QTOFsplash10-0a4m-9000000000-a9998928687caae441902021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 10V, Negative-QTOFsplash10-004i-3090000000-4bb2aedb7cfc3f4c22552021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 20V, Negative-QTOFsplash10-004i-9000000000-e5ae44d04fcc61ba1d702021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ribose 1-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-00ffef4ac2a980d6a3102021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Cellular Cytoplasm
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Cellular CytoplasmDetected and Quantified60 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03101
Phenol Explorer Compound IDNot Available
FooDB IDFDB031271
KNApSAcK IDNot Available
Chemspider ID388373
KEGG Compound IDC00620
BioCyc IDRIBOSE-1P
BiGG ID34994
Wikipedia LinkNot Available
METLIN ID6273
PubChem Compound439236
PDB IDNot Available
ChEBI ID16300
Food Biomarker OntologyNot Available
VMH IDR1P
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceTochikura, Tatsurokuro; Sakai, Takuo; Ogata, Koichi. Ribose 1-phosphate production by fermentation. Jpn. Tokkyo Koho (1969), 3 pp.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. [PubMed:15882454 ]
  2. Giorgelli F, Bottai C, Mascia L, Scolozzi C, Camici M, Ipata PL: Recycling of alpha-D-ribose 1-phosphate for nucleoside interconversion. Biochim Biophys Acta. 1997 Apr 17;1335(1-2):6-22. [PubMed:9133638 ]

Enzymes

Enzyme Details
1. Phosphoglucomutase-1
General function:
Involved in intramolecular transferase activity, phosphotransferases
Specific function:
This enzyme participates in both the breakdown and synthesis of glucose.
Gene Name:
PGM1
Uniprot ID:
P36871
Molecular weight:
63789.985
Reactions
Ribose 1-phosphate → D-Ribose 5-phosphatedetails
Enzyme Details
2. Phosphoglucomutase-2
General function:
Involved in intramolecular transferase activity, phosphotransferases
Specific function:
Catalyzes the conversion of the nucleoside breakdown products ribose-1-phosphate and deoxyribose-1-phosphate to the corresponding 5-phosphopentoses. May also catalyze the interconversion of glucose-1-phosphate and glucose-6-phosphate. Has low glucose 1,6-bisphosphate synthase activity.
Gene Name:
PGM2
Uniprot ID:
Q96G03
Molecular weight:
68282.765
Reactions
Ribose 1-phosphate → D-Ribose 5-phosphatedetails
Enzyme Details
3. Purine nucleoside phosphorylase
General function:
Involved in purine-nucleoside phosphorylase activity
Specific function:
The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.
Gene Name:
PNP
Uniprot ID:
P00491
Molecular weight:
32117.69
Reactions
Nebularine + Phosphate → Purine + Ribose 1-phosphatedetails
Adenosine + Phosphate → Adenine + Ribose 1-phosphatedetails
Inosine + Phosphate → Hypoxanthine + Ribose 1-phosphatedetails
Guanosine + Phosphate → Guanine + Ribose 1-phosphatedetails
Nicotinamide riboside + Phosphate → Niacinamide + Ribose 1-phosphatedetails
Nicotinic acid ribonucleoside + Phosphate → Nicotinic acid + Ribose 1-phosphate + Hydrogen Iondetails
Xanthosine + Phosphate → Xanthine + Ribose 1-phosphatedetails
Enzyme Details
4. Uridine phosphorylase 1
General function:
Involved in transferase activity, transferring pentosyl groups
Specific function:
Catalyzes the reversible phosphorylytic cleavage of uridine and deoxyuridine to uracil and ribose- or deoxyribose-1-phosphate. The produced molecules are then utilized as carbon and energy sources or in the rescue of pyrimidine bases for nucleotide synthesis.
Gene Name:
UPP1
Uniprot ID:
Q16831
Molecular weight:
33934.005
Reactions
Uridine + Phosphate → Uracil + Ribose 1-phosphatedetails
Fluorouracil + Ribose 1-phosphate → 5-Fluorouridine + Phosphatedetails
Enzyme Details
5. Uridine phosphorylase 2
General function:
Involved in transferase activity, transferring pentosyl groups
Specific function:
Catalyzes the reversible phosphorylytic cleavage of uridine and deoxyuridine to uracil and ribose- or deoxyribose-1-phosphate. The produced molecules are then utilized as carbon and energy sources or in the rescue of pyrimidine bases for nucleotide synthesis. Shows substrate specificity and accept uridine, deoxyuridine, and thymidine as well as the two pyrimidine nucleoside analogs 5-fluorouridine and 5-fluoro-2(')-deoxyuridine as substrates.
Gene Name:
UPP2
Uniprot ID:
O95045
Molecular weight:
41601.795
Reactions
Uridine + Phosphate → Uracil + Ribose 1-phosphatedetails
Fluorouracil + Ribose 1-phosphate → 5-Fluorouridine + Phosphatedetails