DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:20 UTC
Update Date	2025-03-21 18:06:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00062942
Frequency	49.2
Structure
Chemical Formula	C₁₅H₁₈N₄O₄
Molecular Mass	318.1328
SMILES	NC(Cc1c[nH]cn1)C(=O)NC(O)(Cc1ccccc1)C(=O)O
InChI Key	MOOSUVJEDAKIKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alkanolamines alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid alpha-hydroxy acid fatty amide alpha-amino acid or derivatives organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives alkanolamine azole n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxy acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00062942