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

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CGP 52608

	Properties	Image
MNX_ID	MNXM46210
reference	chebi:79994
formula	C₈H₁₂N₄OS₂
global charge	0
mol weight	244.345
InChIKey	DDYJDIHOSRTMSE-FLIBITNWSA-N
InChI	InChI=1S/C8H12N4OS2/c1-3-4-12-6(13)5-15-8(12)11-10-7(14)9-2/h3H,1,4-5H2,2H3,(H2,9,10,14)/b11-8-
SMILES	C=CCN1C(=O)CS/C1=N\NC(=S)NC

MNX internals

InChI (mnx)	InChI=1/C8H12N4OS2/c1-3-4-12-6(13)5-15-8(12)11-10-7(14)9-2/h3H,1,4-5H2,2H3,(H2,9,10,14)/b11-8-
SMILES (mnx)	[CH2:1]=[CH:3][CH2:4][N:12]1[C:6](=[O:13])[CH2:5][S:15]/[C:8]1=[N:11]\[NH:10][C:7](=[N:9][CH3:2])[SH:14]

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
seed.compound:cpd11277 seedM:cpd11277 CHEBI:79994 chebi:79994 kegg.compound:C15629 keggC:C15629 DDYJDIHOSRTMSE-FLIBITNWSA-N	CGP 52608
keggC:M_C15629 seedM:M_cpd11277	secondary/obsolete/fantasy identifier