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

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imidazole-4-acetate

	Properties	Image
MNX_ID	MNXM728089
reference	chebi:57969
formula	C₅H₅N₂O₂
global charge	-1
mol weight	125.107
InChIKey	PRJKNHOMHKJCEJ-UHFFFAOYSA-M
InChI	InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)/p-1
SMILES	O=C([O-])CC1=CNC=N1

MNX internals

InChI (mnx)	InChI=1/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
SMILES (mnx)	[CH2:1]([C:4]1=[CH:2][N:6]=[CH:3][NH:7]1)[C:5](=[O:8])[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57969 chebi:57969 PRJKNHOMHKJCEJ-UHFFFAOYSA-M	imidazole-4-acetate imidazol-4-ylacetate imidazol-4-ylacetate anion imidazol-4-ylacetate(1-)
seed.compound:cpd01831 seedM:cpd01831 PRJKNHOMHKJCEJ-UHFFFAOYSA-M	4-Imidazoleacetate 4-imidazoleacetate Imidazole-4-acetate Imidazoleacetic acid imidazole-4-acetate imidazoleacetic acid imzac
metacyc.compound:4-IMIDAZOLEACETATE metacycM:4-IMIDAZOLEACETATE PRJKNHOMHKJCEJ-UHFFFAOYSA-M	4-imidazoleacetate 4-imidazoleacetic acid imidazole-4-acetate imidazoleacetic acid
bigg.metabolite:im4ac biggM:im4ac PRJKNHOMHKJCEJ-UHFFFAOYSA-M	Imidazole-4-acetate
sabiork.compound:2541 sabiorkM:2541 kegg.compound:C02835 keggC:C02835 PRJKNHOMHKJCEJ-UHFFFAOYSA-N	Imidazole-4-acetate 4-Imidazoleacetate Imidazoleacetic acid
hmdb:HMDB0002024 PRJKNHOMHKJCEJ-UHFFFAOYSA-N	Imidazoleacetic acid 1H-Imidazol-4-ylacetic acid 1H-Imidazole-4-acetate 1H-Imidazole-4-acetic acid 2-(1H-imidazol-5-yl)acetic acid 4(5)-Imidazoleacetate 4(5)-Imidazoleacetic acid 4-Imidazoleacetate 4-Imidazoleacetic acid IAA IMAC IZC Imidazol-4-ylacetate Imidazol-4-ylacetic acid Imidazole acetate Imidazole-4-acetate Imidazole-4-acetic acid Imidazole-4-acetic acid hydrochloride Imidazole-4-acetic acid, sodium salt Imidazoleacetate Imidazolyl-4-acetic acid Lopac-I-0375
vmhM:im4ac vmhmetabolite:im4ac PRJKNHOMHKJCEJ-UHFFFAOYSA-M	imidazol-4-ylacetate 2-(1H-imidazol-5-yl)acetic acid
CHEBI:16974 chebi:16974 PRJKNHOMHKJCEJ-UHFFFAOYSA-N	imidazol-4-ylacetic acid 1H-Imidazole-4-acetic acid 1H-imidazol-4-ylacetic acid 4(5)-Imidazoleacetate 4-Imidazoleacetate Imidazole-4-acetate Imidazoleacetic acid
CHEBI:70804 chebi:70804 PRJKNHOMHKJCEJ-UHFFFAOYSA-N	imidazol-5-ylacetic acid 1H-imidazol-5-ylacetic acid 2-(1H-imidazole-5-yl)acetic acid
hmdb:HMDB0060261 hmdb:HMDB02024 hmdb:HMDB60261 chebi:12017 chebi:14435 chebi:24776 chebi:24777 chebi:5875 biggM:M_im4ac keggC:M_C02835 seedM:M_cpd01831 vmhM:M_im4ac	secondary/obsolete/fantasy identifier