DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:02 UTC
Update Date	2025-03-21 18:39:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00124715
Frequency	26.1
Structure
Chemical Formula	C₁₆H₂₉N₃O₆
Molecular Mass	359.2056
SMILES	CC(C)CC(N=C(O)C(CC(C)C)NC(=O)CC(N)C(=O)O)C(=O)O
InChI Key	CXGKWYJYCDDRKU-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	leucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids asparagine and derivatives carbonyl compounds carboximidic acids carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives methyl-branched fatty acids monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives methyl-branched fatty acid organic 1,3-dipolar compound carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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