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4-CDP-2-C-methyl-D-erythritol

PropertiesImage
MNX_IDMNXM730948 Image of MNXM730948
referencechebi:57823
formulaC14H23N3O14P2
global charge-2
mol weight519.293
InChIKeyYFAUKWZNPVBCFF-XHIBXCGHSA-L
InChIInChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/p-2/t7-,8-,10-,11-,12-,14+/m1/s1
SMILESC[C@](O)(CO)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1 Image of MNXM730948
SMILES (mnx)[CH:1]1([CH:8]2[C@H:7]([OH:25])[C@H:11]([OH:24])[C@@H:10]([CH2:12][CH2:13][C:14]([NH:15][N:16]([NH:17][O:26][O:27]([O@:28]([O:29][OH:30])([PH2:32])[PH2:33])[OH:31])(=[O:19])[OH:20])(=[O:18])[OH:21])[CH2:9]2)[C:2](=[O:23])[CH:3]=[C:4]([OH:22])[CH:5]=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57823
chebi:57823
YFAUKWZNPVBCFF-XHIBXCGHSA-L 		4-CDP-2-C-methyl-D-erythritol
4-CDP-2-C-methyl-D-erythritol dianion
4-CDP-2-C-methyl-D-erythritol(2-)
5'-O-{[({[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl]oxy}phosphinato)oxy]phosphinato}cytidine
cytidine 5'-{3-[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] diphosphate}

sabiork.compound:13502
sabiorkM:13502
kegg.compound:C11435
keggC:C11435
YFAUKWZNPVBCFF-XHIBXCGHSA-N 		4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol

bigg.metabolite:4c2me
biggM:4c2me
YFAUKWZNPVBCFF-UHFFFAOYSA-L 		4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
hmdb:HMDB0304166
YFAUKWZNPVBCFF-XHIBXCGHSA-N 		4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
4-cdp-2-C-methyl-D-erythritol
[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]phosphinic acid

metacyc.compound:4-CYTIDINE-5-DIPHOSPHO-2-C
metacycM:4-CYTIDINE-5-DIPHOSPHO-2-C
YFAUKWZNPVBCFF-XHIBXCGHSA-L 		4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
4-diphosphocytidyl-2-C-methylerythritol
4-diphosphocytidyl-2C-methyl-D-erythritol
CDP-ME
CDP-methyl-D-erythritol

vmhM:4c2me
vmhM:4c2me
vmhmetabolite:4c2me
vmhmetabolite:4c2me
YFAUKWZNPVBCFF-UHFFFAOYSA-L 		4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol

seed.compound:cpd08287
seedM:cpd08287
YFAUKWZNPVBCFF-XHIBXCGHSA-L 		4--cytidine5-diphospho-2-C-methyl-D-erythritol
4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol
4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
4-diphosphocytidyl-2-C-methylerythritol
4-diphosphocytidyl-2C-methyl-D-erythritol
4c2me
CDP-ME
CDP-methyl-D-erythritol

CHEBI:16578
chebi:16578
YFAUKWZNPVBCFF-XHIBXCGHSA-N 		4-CDP-2-C-methyl-D-erythritol
4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol
cytidine 5'-{3-[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen diphosphate}

chebi:11938
chebi:1770
biggM:M_4c2me
keggC:M_C11435
seedM:M_cpd08287
vmhM:M_4c2me 		secondary/obsolete/fantasy identifier