DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:45 UTC
Update Date	2025-03-21 18:05:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059191
Frequency	53.2
Structure
Chemical Formula	C₁₄H₂₇N₃O₅
Molecular Mass	317.1951
SMILES	CCC(C)C(NC(=O)C(CO)NC(=O)C(N)C(C)C)C(=O)O
InChI Key	PGQUDQYHWICSAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides 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 fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol isoleucine or derivatives n-acyl-alpha amino acid or derivatives alcohol polypeptide 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 monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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