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

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5-aza-2'-deoxycytidine

	Properties	Image
MNX_ID	MNXM38037
reference	chebi:50131
formula	C₈H₁₂N₄O₄
global charge	0
mol weight	228.208
InChIKey	XAUDJQYHKZQPEU-KVQBGUIXSA-N
InChI	InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
SMILES	NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=N1

MNX internals

InChI (mnx)	InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
SMILES (mnx)	[CH2:1]1[C@H:4]([OH:14])[C@@H:5]([CH2:2][OH:13])[O:16][C@H:6]1[N:12]1[CH:3]=[N:10][C:7](=[NH:9])[N:11]=[C:8]1[OH:15]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9710463 reactomeM:R-ALL-9710463 CHEBI:50131 chebi:50131 XAUDJQYHKZQPEU-KVQBGUIXSA-N	5-aza-2'-deoxycytidine 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-s-triazin-2(1H)-one 5-azadeoxycytidine decitabine
hmdb:HMDB0255781 XAUDJQYHKZQPEU-UHFFFAOYSA-N	1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)- 2' Deoxy 5 azacytidine 2'-Deoxy-5-azacytidine 4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one 5 Aza 2' deoxycytidine 5 Azadeoxycytidine 5 Deoxyazacytidine 5-Aza-2'-deoxycytidine 5-AzadC 5-Azadeoxycytidine 5-Deoxyazacytidine 5AzadC AzadC compound Compound, azadc Dacogen Decitabine Decitabine mesylate Mesylate, decitabine decitabine [usan:ban:inn]
CHEBI:95165 chebi:95165 XAUDJQYHKZQPEU-UHFFFAOYSA-N	4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3,5-triazin-2-one
metacyc.compound:CPD-22693 metacycM:CPD-22693 XAUDJQYHKZQPEU-KVQBGUIXSA-N	5-aza-2'-deoxycytidine 4-amino-1-(2-deoxy-ss-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one
kegg.drug:D03665 keggD:D03665 XAUDJQYHKZQPEU-KVQBGUIXSA-N	Decitabine (USAN/INN) Dacogen (TN)
hmdb:HMDB0015391 XAUDJQYHKZQPEU-KVQBGUIXSA-N	Decitabine 2' Deoxy 5 azacytidine 2'-Deoxy-5-azacytidine 4-Amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-S-triazin-2(1H)-one 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-S-triazin-2(1H)-one 5 Aza 2' deoxycytidine 5 Azadeoxycytidine 5 Deoxyazacytidine 5-Aza-2'-deoxycytidine 5-AzadC 5-Azadeoxycytidine 5-Deoxyazacytidine 5AzadC AzadC compound Azadc Compound, azadc Dacogen Decitabine mesylate Dezocitidine Mesylate, decitabine
hmdb:HMDB15391 keggD:M_D03665	secondary/obsolete/fantasy identifier