DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:42 UTC
Update Date	2025-03-21 18:28:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00071002
Frequency	42.3
Structure
Chemical Formula	C₁₈H₂₆N₄O₅
Molecular Mass	378.1903
SMILES	CC(C)C(NC(=O)C(N)CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	KBQOUDLMWYWXNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives asparagine and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids primary carboxylic acid amides secondary carboxylic acid amides valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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