DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:52 UTC
Update Date	2025-03-21 18:05:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054727
Frequency	58.7
Structure
Chemical Formula	C₁₅H₂₁NO₃
Molecular Mass	263.1521
SMILES	CCCCC(N=C(O)CCc1ccccc1)C(=O)O
InChI Key	XYURIZIPFGAXES-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	alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amino fatty acids benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl carbocyclic fatty acid carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid fatty acid medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic 1,3-dipolar compound amino fatty acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID00054727