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

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mercaptopurine

	Properties	Image
MNX_ID	MNXM1156
reference	chebi:50667
formula	C₅H₄N₄S
global charge	0
mol weight	152.182
InChIKey	GLVAUDGFNGKCSF-UHFFFAOYSA-N
InChI	InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
SMILES	S=C1NC=NC2=C1NC=N2

MNX internals

InChI (mnx)	InChI=1/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
SMILES (mnx)	[CH:1]1=[N:6][C:3]2=[C:4]([NH:7]1)[N:8]=[CH:2][N:9]=[C:5]2[SH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9748998 reactomeM:R-ALL-9748998 CHEBI:50667 chebi:50667 GLVAUDGFNGKCSF-UHFFFAOYSA-N	mercaptopurine 1,7-dihydro-6H-purine-6-thione 6 MP 6-MP 6-Mercaptopurine 6-Thiohypoxanthine 6-Thioxopurine Mercaptopurina Mercaptopurine Mercapurin Puri-Nethol Purinethol mercaptopurinum
CHEBI:94796 chebi:94796 GLVAUDGFNGKCSF-UHFFFAOYSA-N	3,7-dihydropurine-6-thione 6-mercaptopurine 6-mercaptopurine monohydrate mercaptopurine hydrate mercaptopurine monohydrate mercapurin purimethol purinethiol purinethol thiohypoxanthine xaluprine
bigg.metabolite:6mpur biggM:6mpur	6-Mercaptopurine
kegg.compound:C02380 keggC:C02380 GLVAUDGFNGKCSF-UHFFFAOYSA-N	6-Mercaptopurine Mercaptopurine
seed.compound:cpd01590 seedM:cpd01590	Mercaptopurine
kegg.drug:D04931 keggD:D04931 GLVAUDGFNGKCSF-UHFFFAOYSA-N	Mercaptopurine (INN) Mercaptopurine anhydrous Purinethol (TN)
hmdb:HMDB0015167 GLVAUDGFNGKCSF-UHFFFAOYSA-N	Mercaptopurine 1,7-Dihydro-6H-purine-6-thione 3H-Purine-6-thiol 6 MP 6 Mercaptopurine 6 Mercaptopurine monohydrate 6 Thiohypoxanthine 6 Thiopurine 6,7-dihydro-3H-purine-6-thione 6-MP 6-Mercaptopurine 6-Mercaptopurine monohydrate 6-Thiohypoxanthine 6-Thiopurine Glaxo wellcome brand OF 6 mercaptopurine Glaxo wellcome brand OF 6-mercaptopurine GlaxoSmithKline brand OF 6 mercaptopurine GlaxoSmithKline brand OF 6-mercaptopurine Leupurin MP Mercaptopurina wellcome Mercaptopurine anhydrous Mercaptopurine monohydrate Mercapurin Puri nethol Puri-nethol Purimethol Purinethol Wellcome brand OF 6 mercaptopurine Wellcome brand OF 6-mercaptopurine mercaptopurine
kegg.compound:C01756 keggC:C01756 GLVAUDGFNGKCSF-UHFFFAOYSA-N	Thiopurine
seed.compound:cpd28264 seedM:cpd28264 GLVAUDGFNGKCSF-UHFFFAOYSA-N	Thiopurines
seed.compound:cpd01212 seedM:cpd01212 GLVAUDGFNGKCSF-UHFFFAOYSA-N	Thiopurine 1,7-dihydro-6H-purine-6-thione 6-MP 6-Mercaptopurine 6-mercaptopurine Mercaptopurine mercaptopurine
vmhM:M02989 vmhmetabolite:M02989 GLVAUDGFNGKCSF-UHFFFAOYSA-N	Thiopurine 6,7-dihydro-3H-purine-6-thione
metacyc.compound:Thiopurines metacycM:Thiopurines GLVAUDGFNGKCSF-UHFFFAOYSA-N	a thiopurine
reactome:R-ALL-158619 reactomeM:R-ALL-158619 reactome:R-ALL-33153 reactomeM:R-ALL-33153 CHEBI:2208 chebi:2208 GLVAUDGFNGKCSF-UHFFFAOYSA-N	purine-6-thiol 1,7-Dihydro-6H-purine-6-thione 3H-Purine-6-thiol 6-MP 6-Thiohypoxanthine 7H-purine-6-thiol
metacyc.compound:CPD-15916 metacycM:CPD-15916 GLVAUDGFNGKCSF-UHFFFAOYSA-N	purine-6-thiol 1,7-dihydro-6H-purine-6-thione 6-MP 6-mercaptopurine mercaptopurine
hmdb:HMDB15167 biggM:M_6mpur keggC:M_C01756 keggC:M_C02380 keggD:M_D04931 seedM:M_cpd01212 seedM:M_cpd01590 seedM:M_cpd28264 vmhM:M_M02989	secondary/obsolete/fantasy identifier