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

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5-azacytidine

	Properties	Image
MNX_ID	MNXM38038
reference	chebi:2038
formula	C₈H₁₂N₄O₅
global charge	0
mol weight	244.207
InChIKey	NMUSYJAQQFHJEW-KVTDHHQDSA-N
InChI	InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
SMILES	NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1

MNX internals

InChI (mnx)	InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
SMILES (mnx)	[CH2:1]([C@@H:3]1[C@@H:4]([OH:14])[C@@H:5]([OH:15])[C@H:6]([N:12]2[CH:2]=[N:10][C:7](=[NH:9])[N:11]=[C:8]2[OH:16])[O:17]1)[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2038 chebi:2038 NMUSYJAQQFHJEW-KVTDHHQDSA-N	5-azacytidine 4-Amino-1-beta-D-ribofuranosyl-s-triazin-2(1H)-one 4-amino-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-one 5-Azacytidine Azacitidine azacitidina azacitidinum
sabiork.compound:13334 sabiorkM:13334 kegg.compound:C11262 keggC:C11262 NMUSYJAQQFHJEW-KVTDHHQDSA-N	5-Azacytidine Azacitidine
metacyc.compound:CPD-15118 metacycM:CPD-15118 NMUSYJAQQFHJEW-KVTDHHQDSA-N	5-azacytidine
kegg.drug:D03021 keggD:D03021 NMUSYJAQQFHJEW-KVTDHHQDSA-N	Azacitidine (JAN/USAN/INN) Vidaza (TN)
hmdb:HMDB0015063 NMUSYJAQQFHJEW-KVTDHHQDSA-N	Azacitidine 4-Amino-1-b-D-ribofuranosyl-S-triazin-2(1H)-one 4-Amino-1-beta-D-ribofuranosyl-S-triazin-2(1H)-one 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one 5 AZC 5 Azacytidine Azacitidina Azacitidinum Azacytidine Pharmion brand OF azacitidine Vidaza azacitidine
seed.compound:cpd08125 seedM:cpd08125 NMUSYJAQQFHJEW-KVTDHHQDSA-N	Azacitidine 5-Azacytidine 5-azacytidine
hmdb:HMDB15063 keggC:M_C11262 keggD:M_D03021 seedM:M_cpd08125	secondary/obsolete/fantasy identifier