DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:25 UTC
Update Date	2025-03-21 18:29:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00075128
Frequency	70.8
Structure
Chemical Formula	C₁₅H₂₉N₃O₄
Molecular Mass	315.2158
SMILES	CCC(C)C(NC(=O)C(N)CC(C)C)C(=O)NC(C)C(=O)O
InChI Key	DBSLVQBXKVKDKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids hydrocarbon derivatives isoleucine and derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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