DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:35 UTC
Update Date	2025-03-21 18:03:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00042325
Frequency	80.8
Structure
Chemical Formula	C₁₄H₂₇N₃O₄
Molecular Mass	301.2002
SMILES	CCC(C)C(NC(=O)C(C)N)C(=O)NC(C(=O)O)C(C)C
InChI Key	LNNSWWRRYJLGNI-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 methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives 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 alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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