DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:07 UTC
Update Date	2025-03-25 01:00:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02245073
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇N₃O₄
Molecular Mass	373.2002
SMILES	CN1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O
InChI Key	JAMADBHRVOASFY-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 hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-alkylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives pyrrolidine carboxylic acids pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine tertiary aliphatic amine carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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