DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:56 UTC
Update Date	2025-03-21 18:31:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085953
Frequency	39.8
Structure
Chemical Formula	C₂₀H₂₅N₅O₄
Molecular Mass	399.1907
SMILES	O=C(O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1
InChI Key	XQHGISDMVBTGAL-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 heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound 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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