DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:20:48 UTC
Update Date	2025-03-25 00:15:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01254159
Frequency	1.1
Structure
Chemical Formula	C₅H₈N₃O₂+
Molecular Mass	142.0611
SMILES	C[n+]1cc(C(=O)O)[nH]c1N
InChI Key	HAYNBGWBDLNBQC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	imidazoles
Direct Parent	1,2,4-trisubstituted imidazoles
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives n-substituted imidazoles organic cations organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound imidazole-4-carbonyl group organic cation n-substituted imidazole vinylogous amide azacycle heteroaromatic compound 1,2,4-trisubstituted-imidazole monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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