DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:58 UTC
Update Date	2025-03-21 18:29:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076460
Frequency	46.8
Structure
Chemical Formula	C₂₀H₂₉N₃O₄
Molecular Mass	375.2158
SMILES	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1)C(=O)O
InChI Key	WHNJMTHJGCEKGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines fatty amides hydrocarbon derivatives leucine and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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