DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:57 UTC
Update Date	2025-03-25 00:54:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208003
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₇N₃O₅
Molecular Mass	401.1951
SMILES	CC(C)CC1NC(=O)C2CCC(C(=O)NC(Cc3ccccc3)C(=O)O)N2C1=O
InChI Key	SSEWOHMRTABQDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	cyclic peptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2,5-dioxopiperazines alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids n-alkylpiperazines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid 3-phenylpropanoic-acid alpha-amino acid or derivatives 2,5-dioxopiperazine organic oxide dioxopiperazine piperazine aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpiperazine carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound cyclic alpha peptide 1,4-diazinane hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

Showing information for DMID02208003