DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:39 UTC
Update Date	2025-03-25 00:51:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189126
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₅N₃O₄
Molecular Mass	357.2628
SMILES	CC(C)CCC(N=C(O)C(N)CC(C)C)C(O)=NC(C(=O)O)C(C)C
InChI Key	WJDVMNOLQCJKQF-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	valine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid fatty acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound methyl-branched fatty acid valine or derivatives organic 1,3-dipolar compound branched fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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