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

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imidazol-4-one

	Properties	Image
MNX_ID	MNXM2481
reference	chebi:28470
formula	C₃H₄N₂O
global charge	0
mol weight	84.078
InChIKey	CAAMSDWKXXPUJR-UHFFFAOYSA-N
InChI	InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)
SMILES	O=C1CN=CN1

MNX internals

InChI (mnx)	InChI=1/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)
SMILES (mnx)	[CH2:1]1[C:3]([OH:6])=[N:5][CH:2]=[N:4]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28470 chebi:28470 CAAMSDWKXXPUJR-UHFFFAOYSA-N	imidazol-4-one 3,5-dihydro-4H-imidazol-4-one 4-Imidazolone Imidazolone
CHEBI:51023 chebi:51023 CAAMSDWKXXPUJR-UHFFFAOYSA-N	1,5-dihydro-4H-imidazol-4-one 4-Imidazolone Imidazol-4-one
metacyc.compound:CPD-60 metacycM:CPD-60 CAAMSDWKXXPUJR-UHFFFAOYSA-N	3,5-dihydro-4H-imidazol-4-one 4-imidazolone
vmhM:4imidzln vmhmetabolite:4imidzln CAAMSDWKXXPUJR-UHFFFAOYSA-N	4-Imidazolone
hmdb:HMDB0004363 CAAMSDWKXXPUJR-UHFFFAOYSA-N	Imidazolone 1-Imidazolin-5-one 1H-Imidazol-5(4H)-one 2-Imidazolin-4-one 2-Imidazolin-5-one 3,5-Dihydro-4H-imidazol-4-one 4,5-dihydro-1H-imidazol-5-one 4-Imidazolone Imidazol-4-one imidazol-4-one
seed.compound:cpd03703 seedM:cpd03703 CAAMSDWKXXPUJR-UHFFFAOYSA-N	Imidazolone 3,5-dihydro-4H-imidazol-4-one 4-Imidazolone 4-imidazolone Imidazol-4-one
kegg.compound:C06195 keggC:C06195 CAAMSDWKXXPUJR-UHFFFAOYSA-N	Imidazolone 4-Imidazolone Imidazol-4-one
hmdb:HMDB04363 chebi:1884 chebi:20428 chebi:2083 keggC:M_C06195 seedM:M_cpd03703 vmhM:M_4imidzln	secondary/obsolete/fantasy identifier