DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:12 UTC
Update Date	2025-03-21 18:38:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120459
Frequency	21.6
Structure
Chemical Formula	C₁₇H₂₃N₃O₆
Molecular Mass	365.1587
SMILES	NC(Cc1ccc(O)cc1)C(=O)NC(CCN1CCC1C(=O)O)C(=O)O
InChI Key	XBUHRUVIRNXEQF-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amino fatty acids amphetamines and derivatives azacyclic compounds azetidinecarboxylic acids azetidines benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives hydroxy fatty acids monoalkylamines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides trialkylamines tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid fatty amide 1-hydroxy-2-unsubstituted benzenoid azetidinecarboxylic acid alpha-amino acid or derivatives organic oxide alpha-amino acid organonitrogen compound organopnictogen compound hydroxy fatty acid tertiary amine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid tertiary aliphatic amine amino fatty acid carboxamide group azetidine alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound amine organooxygen compound

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