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

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1-methyl-4-imidazoleacetic acid

	Properties	Image
MNX_ID	MNXM91418
reference	chebi:1606
formula	C₆H₈N₂O₂
global charge	0
mol weight	140.142
InChIKey	ZHCKPJGJQOPTLB-UHFFFAOYSA-N
InChI	InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)
SMILES	CN1C=NC(CC(=O)O)=C1

MNX internals

InChI (mnx)	InChI=1/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)
SMILES (mnx)	[CH3:1][N:8]1[CH:3]=[C:5]([CH2:2][C:6](=[O:9])[OH:10])[N:7]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:1606 chebi:1606 ZHCKPJGJQOPTLB-UHFFFAOYSA-N	1-methyl-4-imidazoleacetic acid (1-methyl-1H-imidazol-4-yl)acetic acid 1,4-methyl-imidazoleacetic acid 1-Methylimidazole-4-acetate Methylimidazoleacetate Methylimidazoleacetic acid Tele-methylimidazoleacetic acid
CHEBI:132918 chebi:132918 ZHCKPJGJQOPTLB-UHFFFAOYSA-M	1-methyl-4-imidazoleacetate (1-methyl-1H-imidazol-4-yl)acetate 1-methylimidazole-4-acetate methylimidazoleacetate
bigg.metabolite:3mlda biggM:3mlda ZHCKPJGJQOPTLB-UHFFFAOYSA-M	3-Methylimidazoleacetic acid
vmhM:3mlda vmhmetabolite:3mlda ZHCKPJGJQOPTLB-UHFFFAOYSA-M	3-Methylimidazoleacetic acid 2-(1-methyl-1H-imidazol-4-yl)acetic acid
seed.compound:cpd03459 seedM:cpd03459 ZHCKPJGJQOPTLB-UHFFFAOYSA-M	Methylimidazoleacetate 1-Methyl-4-imidazoleacetic acid 1-Methylimidazole-4-acetate Methylimidazoleacetic acid Tele-methylimidazoleacetic acid
hmdb:HMDB0002820 ZHCKPJGJQOPTLB-UHFFFAOYSA-N	Methylimidazoleacetic acid 1,4-Methyl-imidazoleacetate 1,4-Methyl-imidazoleacetic acid 1,4-Methylimidazoleacetate 1-Methyl-1H-imidazole-4-acetate 1-Methyl-1H-imidazole-4-acetic acid 1-Methyl-4-imidazoleacetate 1-Methyl-4-imidazoleacetic acid 1-Methylimidazole-4-acetate 1-Methylimidazole-4-acetic acid 2-(1-methyl-1H-imidazol-4-yl)acetic acid MIAA Methylimidazole acetate Methylimidazoleacetate Methylimidazoleacetic acid, hydrochloride N Tau-methylimidazoleacetic acid methylimidazoleacetic acid tele-Methylimidazoleacetate tele-Methylimidazoleacetic acid
kegg.compound:C05828 keggC:C05828 ZHCKPJGJQOPTLB-UHFFFAOYSA-N	Methylimidazoleacetic acid 1-Methyl-4-imidazoleacetic acid 1-Methylimidazole-4-acetate Methylimidazoleacetate Tele-methylimidazoleacetic acid
hmdb:HMDB02820 biggM:M_3mlda keggC:M_C05828 seedM:M_cpd03459 vmhM:M_3mlda	secondary/obsolete/fantasy identifier