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

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isoguanine

	Properties	Image
MNX_ID	MNXM732019
reference	chebi:62462
formula	C₅H₅N₅O
global charge	0
mol weight	151.129
InChIKey	DRAVOWXCEBXPTN-UHFFFAOYSA-N
InChI	InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
SMILES	NC1=NC(=O)NC2=C1NC=N2

MNX internals

InChI (mnx)	InChI=1/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
SMILES (mnx)	[CH:1]1=[N:7][C:2]2=[C:3]([NH2:6])[N:9]=[C:5]([OH:11])[NH:10][C:4]2=[N:8]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62462 chebi:62462 DRAVOWXCEBXPTN-UHFFFAOYSA-N	isoguanine 2-hydroxyadenine 2-oxoadenine 6-amino-1,3-dihydro-2H-purin-2-one 6-amino-3,7-dihydro-2H-purin-2-one 6-amino-3,7-dihydro-purin-2-one 6-amino-3,9-dihydro-2H-purin-2-one 6-amino-7H-purin-2-ol 6-amino-9H-purin-2-ol
sabiork.compound:28230 sabiorkM:28230 DRAVOWXCEBXPTN-UHFFFAOYSA-N	2-Hydroxyadenine
hmdb:HMDB0000403 DRAVOWXCEBXPTN-UHFFFAOYSA-N	2-Hydroxyadenine 2-Hydroxy-6-aminopurine 2-OH-Ade 2-Oxoadenine 2-Oxyadenine 2-hydroxy-6-aminopurine 6-Amino-1,3-dihydro-2H-purin-2-one 6-Amino-2-hydroxypurine 6-Amino-3,7(9)-dihydro-purin-2-one 6-Amino-3,7-dihydro-purin-2-one 6-Amino-3,9-dihydro-2H-purin-2-one 6-Amino-7H-purin-2-ol 6-Amino-9H-purin-2-ol 6-amino-7H-purin-2-ol Crotonoside Isoguanine
seed.compound:cpd26506 seedM:cpd26506 DRAVOWXCEBXPTN-UHFFFAOYSA-O	2-oxoadenine 2-hydroxyadenine isoguanine
metacyc.compound:CPD0-2461 metacycM:CPD0-2461 DRAVOWXCEBXPTN-UHFFFAOYSA-N	isoguanine 2-hydroxyadenine 2-oxoadenine
hmdb:HMDB00403 seedM:M_cpd26506	secondary/obsolete/fantasy identifier