DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:14 UTC
Update Date	2025-03-25 00:53:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199508
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₃N₃O₄
Molecular Mass	251.0906
SMILES	NC(=O)C(CC(=O)O)NC(=O)c1ccc(N)cc1
InChI Key	OECHHOYIPILABP-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	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids fatty amides hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide benzoyl benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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