DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:56 UTC
Update Date	2025-03-25 00:45:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151000
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉NO₄
Molecular Mass	277.1314
SMILES	O=C(O)CC(Cc1ccccc1)N1CCCC1C(=O)O
InChI Key	IDGOQOKMACAOIN-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	proline and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acyls hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids trialkylamines
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid organic oxide pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound amphetamine or derivatives proline or derivatives azacycle n-alkylpyrrolidine tertiary aliphatic amine amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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