DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:49 UTC
Update Date	2025-03-21 17:58:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00012767
Frequency	354.2
Structure
Chemical Formula	C₁₄H₂₈N₃O₅+
Molecular Mass	318.2023
SMILES	C[N+](C)(C)CCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	UCMVUKSOBDDELZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amines amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	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 medium-chain fatty acid organic cation organic salt n-acyl-alpha amino acid or derivatives tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group amino fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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