DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:45 UTC
Update Date	2025-03-21 18:41:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135779
Frequency	18.5
Structure
Chemical Formula	C₁₃H₂₃N₃O₇
Molecular Mass	333.1536
SMILES	CC(C)C(NC(=O)C(CO)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	IWZPJCVAIVKRCL-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 acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives short-chain hydroxy acids and derivatives valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol n-acyl-alpha amino acid or derivatives alcohol methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound serine or derivatives organooxygen compound

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