DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:16 UTC
Update Date	2025-03-25 01:01:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250010
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁N₂O₄+
Molecular Mass	281.1496
SMILES	C[N+](C)(C)C(Cc1ccccc1O)C(=O)NCC(=O)O
InChI Key	WUEMZDHKUZQCPR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acid amides alpha amino acids amines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dipeptides fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt amphetamine or derivatives alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acylglycine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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