Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:49:16 UTC
Update Date2022-08-31 17:38:17 UTC
Metabolite IDMMDBc0029980
Metabolite Identification
Common Name2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
Description2-phospho-4-(cytidine 5'-diphospho)-2-c-methyl-D-erythritol is a member of the chemical class known as Pyrimidine Ribonucleoside Diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.
Structure
Synonyms
ValueSource
4-CDP-2-C-Methyl-D-erythritol 2-phosphateChEBI
4-CDP-2-C-Methyl-D-erythritol 2-phosphate tetraanionChEBI
4-CDP-2-C-Methyl-D-erythritol 2-phosphoric acidGenerator
4-CDP-2-C-Methyl-D-erythritol 2-phosphoric acid tetraanionGenerator
4-CDP-2-c-Methyl-D-erythritol 2-phosphoric acid(4-)Generator
Molecular FormulaC14H22N3O17P3
Average Mass597.257
Monoisotopic Mass597.018401574
IUPAC Name1-[(2R,3R,4S,5R)-5-[({[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphonooxy)butoxy](hydroxy)phosphoryl phosphono}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-4-imino-1,4-dihydropyrimidin-2-olate
Traditional Name1-[(2R,3R,4S,5R)-5-({[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphonooxy)butoxy(hydroxy)phosphoryl phosphono]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-iminopyrimidin-2-olate
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(COP(O)(=O)OP([O-])(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2[O-])[C@]([H])(O)[C@]1([H])O)[C@](C)(CO)OP([O-])([O-])=O
InChI Identifier
InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/p-4/t7-,8-,10-,11-,12-,14+/m1/s1
InChI KeyHTJXTKBIUVFUAR-XHIBXCGHSA-J