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

PropertiesImage
MNX_IDMNXM1641 Image of MNXM1641
referencechebi:57919
formulaC14H22N3O17P3
global charge-4
mol weight597.256
InChIKeyHTJXTKBIUVFUAR-XHIBXCGHSA-J
InChIInChI=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
SMILESC[C@@](CO)(OP(=O)([O-])[O-])[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t7-,8-,10-,11-,12-,14+/m1/s1 Image of MNXM1641
SMILES (mnx)[CH3:1][C@:14]([CH2:6][OH:18])([C@@H:8]([CH2:5][O:31][P:37]([OH:28])(=[O:29])[O:34][P:36]([OH:26])(=[O:27])[O:30][CH2:4][C@@H:7]1[C@@H:10]([OH:20])[C@@H:11]([OH:21])[C@H:12]([N:17]2[CH:3]=[CH:2][C:9](=[NH:15])[N:16]=[C:13]2[OH:22])[O:32]1)[OH:19])[O:33][P:35]([OH:23])([OH:24])=[O:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57919
chebi:57919
HTJXTKBIUVFUAR-XHIBXCGHSA-J 		4-CDP-2-C-methyl-D-erythritol 2-phosphate
4-CDP-2-C-methyl-D-erythritol 2-phosphate tetraanion
4-CDP-2-C-methyl-D-erythritol 2-phosphate(4-)
5'-O-[{[{[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphinatooxy)butyl]oxy}(hydroxy)phosphinato]oxy}(hydroxy)phosphoryl]cytidine

sabiork.compound:13503
sabiorkM:13503
kegg.compound:C11436
keggC:C11436
HTJXTKBIUVFUAR-XHIBXCGHSA-N 		2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol

bigg.metabolite:2p4c2me
biggM:2p4c2me
HTJXTKBIUVFUAR-UHFFFAOYSA-K 		2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
hmdb:HMDB0304084
HTJXTKBIUVFUAR-XHIBXCGHSA-N 		2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
4-CDP-2-C-Methyl-D-erythritol 2-phosphoric acid
4-DPCMEP
4-Diphosphocytidyl-2-C-methyl-D-erythritol 2-phosphate
4-Diphosphocytidyl-2C methylerythritol 2-phosphate
[(2S,3R)-4-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,3-dihydroxy-2-methylbutan-2-yl]oxyphosphonic acid
{[(2S,3R)-4-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,3-dihydroxy-2-methylbutan-2-yl]oxy}phosphonic acid

metacyc.compound:2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET
metacycM:2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET
HTJXTKBIUVFUAR-XHIBXCGHSA-J 		2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
4-diphosphocytidyl-2-C-methylerythritol 2-phosphate
4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate
CDP-ME-2P
CDP-methyl-D-erylthritol 2-phosphate

vmhM:2p4c2me
vmhmetabolite:2p4c2me
HTJXTKBIUVFUAR-UHFFFAOYSA-J 		2-phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol

seed.compound:cpd08288
seedM:cpd08288
HTJXTKBIUVFUAR-XHIBXCGHSA-J 		2-phospho-4--cytidine5-diphospho-2-C-methyl-D-erythritol
2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
2p4c2me
4-diphosphocytidyl-2-C-methylerythritol 2-phosphate
4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate
CDP-ME-2P
CDP-methyl-D-erylthritol 2-phosphate

CHEBI:16840
chebi:16840
HTJXTKBIUVFUAR-XHIBXCGHSA-N 		4-CDP-2-C-methyl-D-erythritol 2-phosphate
2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol 2-(dihydrogen phosphate)

chebi:11649
chebi:11650
chebi:1266
biggM:M_2p4c2me
keggC:M_C11436
seedM:M_cpd08288
vmhM:M_2p4c2me 		secondary/obsolete/fantasy identifier