MiMeDB: Showing metabocard for Cytidine diphosphate ribitol (MMDBc0007571)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 00:42:34 UTC

Update Date

2022-08-31 06:27:30 UTC

Metabolite ID

MMDBc0007571

Metabolite Identification

Common Name

Cytidine diphosphate ribitol

Description

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304221919012D          

 34 35  0  0  1  0            999 V2000
  -14.0702   10.7435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7347    9.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9142    9.9036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5786    9.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7582    9.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0636    8.4825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8841    8.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2196    9.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7280    7.7288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.9210    7.5573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8348    6.7368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.1203    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4059    6.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6914    6.3243    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1039    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2789    7.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9769    5.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2624    6.3243    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8499    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6749    7.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5480    6.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8335    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1190    6.7368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1190    7.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4046    6.3243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4046    5.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6901    6.7368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6901    7.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9756    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2612    6.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5885    6.4012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.7600    5.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1405    7.0143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.9610    6.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  9  6  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 11 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
  9 33  1  0  0  0  0
 33 34  1  1  0  0  0
M  END


  Mrv1652304221919012D          

 34 35  0  0  1  0            999 V2000
  -14.0702   10.7435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7347    9.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9142    9.9036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5786    9.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7582    9.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0636    8.4825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8841    8.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2196    9.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7280    7.7288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.9210    7.5573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8348    6.7368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.1203    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4059    6.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6914    6.3243    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1039    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2789    7.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9769    5.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2624    6.3243    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8499    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6749    7.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5480    6.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8335    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1190    6.7368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1190    7.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4046    6.3243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4046    5.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6901    6.7368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6901    7.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9756    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2612    6.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5885    6.4012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.7600    5.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1405    7.0143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.9610    6.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  9  6  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 11 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
  9 33  1  0  0  0  0
 33 34  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0007571

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1

> <INCHI_KEY>
DPJKHFICSGCNIR-HRENORGGSA-N

> <FORMULA>
C14H25N3O15P2

> <MOLECULAR_WEIGHT>
537.3069

> <EXACT_MASS>
537.076090169

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
44.37122842902403

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]oxy})phosphoryl]oxy})phosphinic acid

> <ALOGPS_LOGP>
-1.66

> <JCHEM_LOGP>
-5.546027910000001

> <ALOGPS_LOGS>
-1.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.2716914228409646

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.863228048328863

> <JCHEM_PKA_STRONGEST_BASIC>
-0.03201053426432565

> <JCHEM_POLAR_SURFACE_AREA>
291.59

> <JCHEM_REFRACTIVITY>
104.95270000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.59e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cdp ribitol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-APR-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-APR-19         0                                  
HETATM    1  N   UNK     0     -26.264  20.055   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0     -25.638  18.648   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0     -24.107  18.487   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0     -23.480  17.080   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0     -21.949  16.919   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0     -24.385  15.834   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0     -25.917  15.995   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -26.543  17.402   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -23.759  14.427   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0     -22.253  14.107   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0     -22.092  12.575   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -20.758  11.805   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0     -19.424  12.575   0.000  0.00  0.00           O+0
HETATM   14  P   UNK     0     -18.091  11.805   0.000  0.00  0.00           P+0
HETATM   15  O   UNK     0     -18.861  10.472   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0     -17.321  13.139   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0     -16.757  11.035   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0     -15.423  11.805   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0     -14.653  10.472   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0     -16.193  13.139   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0     -14.090  12.575   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0     -12.756  11.805   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -11.422  12.575   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0     -11.422  14.115   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0     -10.089  11.805   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0     -10.089  10.265   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -8.755  12.575   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -8.755  14.115   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -7.421  11.805   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -6.087  12.575   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0     -23.498  11.949   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0     -23.819  10.443   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0     -24.529  13.093   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0     -26.061  12.932   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7    2                                                       
CONECT    9    6   10   33                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   31                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29                                                            
CONECT   31   11   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31    9   34                                                  
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   70    0
END

Synonyms

Value	Source
CDP 5-Ester with D-ribitol	ChEBI
CDP Ribitol	ChEBI
CDP-L-Ribitol	ChEBI
CDPribitol	ChEBI
Cytidine 5'-(trihydrogen diphosphate), p'-5-ester with D-ribitol	ChEBI
Cytidine diphosphate ribitol	ChEBI
Cytidine 5'-(trihydrogen diphosphoric acid), p'-5-ester with D-ribitol	Generator
Cytidine diphosphoric acid ribitol	Generator

Molecular Formula

C₁₄H₂₅N₃O₁₅P₂

Average Mass

537.3069

Monoisotopic Mass

537.076090169

IUPAC Name

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]oxy})phosphoryl]oxy})phosphinic acid

Traditional Name

cdp ribitol

CAS Registry Number

Not Available

SMILES

NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1

InChI Key

DPJKHFICSGCNIR-HRENORGGSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine ribonucleotides

Direct Parent

Pyrimidine ribonucleoside diphosphates

Alternative Parents

Substituents

Pyrimidine ribonucleoside diphosphate
Pentose-5-phosphate
Pentose phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Alkyl phosphate
Phosphoric acid ester
Pyrimidine
Imidolactam
Monosaccharide
Organic phosphoric acid derivative
Tetrahydrofuran
Heteroaromatic compound
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Organonitrogen compound
Organic nitrogen compound
Amine
Alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Primary amine
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

nucleotide-alditol (CHEBI:16022 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	15.9 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-5.5	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	1.86	ChemAxon
pKa (Strongest Basic)	-0.032	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	291.59 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	104.95 m³·mol⁻¹	ChemAxon
Polarizability	44.37 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0900010000-6e1fcdeba40ba224ed0b	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-3910000000-ae705be2942ba94101e1	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-6910000000-f3aaafb52fa945f1a801	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-01w0-9401840000-00c2c44a62fdbcf52c04	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-08fr-9533100000-b72dd29a8a03e4ce91e3	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0bvl-6910000000-04014d88bb0d69f9f1c7	2016-09-12	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Firmicutes	33	Human ; Human feces; Human urine; Human saliva; Human supragingival plaque; Human mucosa; Cattle	Metabolic reconstruction
Bacteria	Proteobacteria	2	Human ; Human sputum; Human feces
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C00789

BioCyc ID

CPD-1111

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

165130

PDB ID

Not Available

ChEBI ID

16022

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for Cytidine diphosphate ribitol (MMDBc0007571)

MOL for #<Metabolite:0x00007fdb0b3fc738>

3D MOL for #<Metabolite:0x00007fdb0b3fc738>

3D SDF for #<Metabolite:0x00007fdb0b3fc738>

3D-SDF for #<Metabolite:0x00007fdb0b3fc738>

PDB for #<Metabolite:0x00007fdb0b3fc738>

3D PDB for #<Metabolite:0x00007fdb0b3fc738>

SMILES for #<Metabolite:0x00007fdb0b3fc738>

INCHI for #<Metabolite:0x00007fdb0b3fc738>

Structure for #<Metabolite:0x00007fdb0b3fc738>

3D Structure for #<Metabolite:0x00007fdb0b3fc738>