DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:50 UTC
Update Date	2025-03-21 18:31:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085742
Frequency	33.3
Structure
Chemical Formula	C₁₃H₂₄N₄O₅
Molecular Mass	316.1747
SMILES	CC(C)CC(NC(=O)C(N)CCC(N)=O)C(=O)NCC(=O)O
InChI Key	CAXXTYYGFYTBPV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids glutamine and derivatives hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00085742