DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:42:45 UTC
Update Date	2025-03-21 17:59:30 UTC
HMDB ID	HMDB0257647
Metabolite Identification
DeepMet ID	DMID00021479
Name	(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid
Frequency	186.1
Structure
Chemical Formula	C₁₁H₁₂N₂O₄
Molecular Mass	236.0797
SMILES	Nc1ccccc1C(=O)CC(NC=O)C(=O)O
InChI Key	HIRMAYRDONPZSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-formyl-alpha amino acids organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-formyl-alpha amino acid or derivatives vinylogous amide carboxamide group gamma-keto acid butyrophenone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives n-formyl-alpha-amino acid keto acid hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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