DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:33 UTC
Update Date	2025-03-21 18:40:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128370
Frequency	19.9
Structure
Chemical Formula	C₁₆H₂₅N₃O₄
Molecular Mass	323.1845
SMILES	CN(C(=O)C(N)Cc1ccc(O)cc1)C(CCCCN)C(=O)O
InChI Key	FPURWSHDCPJWQR-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives tertiary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 1-hydroxy-2-unsubstituted benzenoid fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group amino fatty acid aromatic homomonocyclic compound alpha-dipeptide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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