Structure Information
Structure

Compound Identification

SMILES

CC[C@@H](C)C1=CC=C(N[C@@H](C(O)=O)C2=CC=C(O2)[C@@H](S)CC2=CC=CO2)C=C1

InChIKey

InChIKey=XZZHZGDGBAOTSA-PUCZYUMASA-N

Formula

C22H25NO4S

Mass

399.51

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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

Heterocyclic fatty acids

Direct Parent

Furanoid fatty acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Furanoid fatty acid - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Phenylpropane - Phenylalkylamine - Aniline or substituted anilines - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Amino acid or derivatives - Amino acid - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid.

External Descriptors

Not available

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