DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:05 UTC
Update Date	2025-03-25 00:54:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205997
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₃O₅
Molecular Mass	323.1481
SMILES	NC(CCC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	HBDRWEXXYAPBTR-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	tyrosine and derivatives
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 carboxylic acids fatty amides hydrocarbon derivatives hydroxy fatty acids ketones medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid fatty acid medium-chain hydroxy acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives tyrosine or derivatives alpha-amino acid amide carboxamide group amino fatty acid aromatic homomonocyclic compound secondary carboxylic acid amide 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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