DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:11 UTC
Update Date	2025-03-21 17:57:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00011250
Frequency	749.2
Structure
Chemical Formula	C₁₄H₂₇N₃O₄
Molecular Mass	301.2002
SMILES	CC(C)CC(N)C(O)=NC(CC(C)C)C(=O)NCC(=O)O
InChI Key	YOKVEHGYYQEQOP-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid fatty amide propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide organic 1,3-dipolar compound carboxamide group n-acyl-amine n-acylglycine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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