DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:33 UTC
Update Date	2025-03-25 00:56:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216475
Frequency	0.5
Structure
Chemical Formula	C₁₆H₃₀N₄O₅
Molecular Mass	358.2216
SMILES	CCC(C)C(NC(=O)C(NC(=O)CCC(N)C(N)=O)C(C)C)C(=O)O
InChI Key	BJGKLLMBPQINMZ-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 glutamine and derivatives 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 primary carboxylic acid amides secondary carboxylic acid amides valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives 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 alpha-oligopeptide organic nitrogen compound organooxygen compound

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