DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:27 UTC
Update Date	2025-03-25 00:49:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177257
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₅N₃O₅
Molecular Mass	399.1794
SMILES	CNCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	CCKTXSNENSFQIR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine polypeptide tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid secondary amine carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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