DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:06 UTC
Update Date	2025-03-25 00:52:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02192317
Frequency	0.5
Structure
Chemical Formula	C₂₃H₄₁NO₄
Molecular Mass	395.3036
SMILES	CCCCCC=CCC=CCCCCCCCC(=O)NC(CO)CCC(=O)O
InChI Key	OKQBGHZHUHRQSM-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid gamma amino acid or derivatives fatty amide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative organic nitrogen compound primary alcohol organooxygen compound

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