Structure Information
Structure

Compound Identification

SMILES

[H]\C(C)=C(\C)C(=O)O[C@]1([H])C[C@@]([H])(O)[C@]([H])(O[C@]([H])(C)CCCCCCC(O)=O)O[C@@]1([H])C

InChIKey

InChIKey=IARVMWOCDIKRTC-GIYJNIOBSA-N

Formula

C20H34O7

Mass

386.485

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acids and conjugates

Intermediate Tree Nodes

Not available

Direct Parent

Medium-chain fatty acids

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Medium-chain fatty acid - Branched fatty acid - Fatty acid ester - Heterocyclic fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Sugar acid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

External Descriptors

CHEBI:79129 : monocarboxylic acid - 4-O-[(E)-2-methyl-2-butenoyl]ascaroside

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