DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:35 UTC
Update Date	2025-03-25 00:48:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170619
Frequency	0.5
Structure
Chemical Formula	C₂₄H₄₅NO₅
Molecular Mass	427.3298
SMILES	CCCCCCCCCCCCCCCCCCC(=O)NC(CC(=O)O)C(O)C=O
InChI Key	CTJRODNZTCNOIA-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha-hydroxyaldehydes carboxylic acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide monosaccharide fatty acid saccharide organic oxide alpha-hydroxyaldehyde organonitrogen compound organopnictogen compound hydroxy fatty acid alcohol aldehyde carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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