MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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CDP

	Properties	Image
MNX_ID	MNXM1102191
reference	chebi:58069
formula	C₉H₁₂N₃O₁₁P₂
global charge	-3
mol weight	400.153
InChIKey	ZWIADYZPOWUWEW-XVFCMESISA-K
InChI	InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1
SMILES	NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][N:12]([C@H:8]2[C@H:7]([OH:14])[C@H:6]([OH:13])[C@@H:4]([CH2:3][O:21][P:25]([OH:19])(=[O:20])[O:23][P:24]([OH:16])([OH:17])=[O:18])[O:22]2)[C:9]([OH:15])=[N:11][C:5]1=[NH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	105
in models (compartimentalized)	79

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-110094 reactomeM:R-ALL-110094 reactome:R-ALL-110638 reactomeM:R-ALL-110638 reactome:R-ALL-111809 reactomeM:R-ALL-111809 reactome:R-ALL-8851220 reactomeM:R-ALL-8851220 reactome:R-ALL-8851368 reactomeM:R-ALL-8851368 reactome:R-ALL-8851506 reactomeM:R-ALL-8851506 CHEBI:58069 chebi:58069 ZWIADYZPOWUWEW-XVFCMESISA-K	CDP 5'-O-[(phosphonatooxy)phosphinato]cytidine CDP trianion CDP(3-) cytidine 5'-diphosphate cytidine 5'-diphosphate(2-) cytidine 5'-pyrophosphate cytidine 5'-pyrophosphate(2-)
bigg.metabolite:cdp biggM:cdp ZWIADYZPOWUWEW-XVFCMESISA-K	CDP
metacyc.compound:CDP-GROUP metacycM:CDP-GROUP ZWIADYZPOWUWEW-XVFCMESISA-L	CDP group CDP
CHEBI:17239 chebi:17239 ZWIADYZPOWUWEW-XVFCMESISA-N	CDP 5'-CDP CYTIDINE-5'-DIPHOSPHATE Cytidine 5'-diphosphate Cytidine 5'-diphosphoric acid Cytidine 5'-pyrophosphate Cytidine diphosphate Cytidine, 5'-(trihydrogen pyrophosphate) cytidine 5'-(trihydrogen diphosphate)
hmdb:HMDB0001546 ZWIADYZPOWUWEW-XVFCMESISA-N	CDP 5'-CDP CYTIDINE-5'-diphosphATE CYTIDINE-5'-diphosphoric acid Cytidine 5'-diphosphate Cytidine 5'-diphosphoric acid Cytidine 5'-pyrophosphate Cytidine 5'-pyrophosphoric acid Cytidine diphosphate Cytidine diphosphoric acid Cytidine, 5'-(trihydrogen pyrophosphate) Cytidine, 5'-(trihydrogen pyrophosphoric acid) Cytidine-diphosphate Diphosphate, cytidine [({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
kegg.compound:C00112 keggC:C00112 ZWIADYZPOWUWEW-XVFCMESISA-N	CDP Cytidine 5'-diphosphate Cytidine diphosphate
seed.compound:cpd00096 seedM:cpd00096 ZWIADYZPOWUWEW-XVFCMESISA-L	CDP Cytidine 5'-diphosphate Cytidine diphosphate cdp cytidine-5'-diphosphate cytidine-diphosphate
vmhM:cdp vmhmetabolite:cdp ZWIADYZPOWUWEW-XVFCMESISA-K	CDP [({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
metacyc.compound:CDP metacycM:CDP ZWIADYZPOWUWEW-XVFCMESISA-K	CDP cytidine-5'-diphosphate cytidine-diphosphate
hmdb:HMDB01546 chebi:13254 chebi:23519 chebi:3260 chebi:41451 biggM:M_cdp keggC:M_C00112 seedM:M_cpd00096 vmhM:M_cdp	secondary/obsolete/fantasy identifier