DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:04 UTC
Update Date	2025-03-25 00:54:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205961
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₄O₅
Molecular Mass	298.1277
SMILES	NC(CCC(=O)NC1NC(=O)C2CCCN2C1=O)C(=O)O
InChI Key	XFWUWIUQJBRYQB-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	oligopeptides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	2,5-dioxopiperazines alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids cyclic peptides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-alkylpiperazines organic oxides organonitrogen compounds organopnictogen compounds pyrrolidines secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid glutamine or derivatives heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives 2,5-dioxopiperazine aliphatic heteropolycyclic compound organic oxide dioxopiperazine piperazine tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid n-alkylpiperazine carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide 1,4-diazinane hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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