Compound Identification
SMILES
CC(O)C(C)C1OC1CC1COC(=CC(C)=CC(=O)OCCCCCCCCC(O)=O)C(O)C1O
InChIKey
InChIKey=PCCYQQYBSIEILC-UHFFFAOYSA-N
Formula
C26H42O9
Mass
498.613
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Medium-chain fatty acids
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Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
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
Hydroxy fatty acids Fatty acid esters Epoxy fatty acids Branched fatty acids Oxanes Dicarboxylic acids and derivatives Enoate esters Secondary alcohols Oxacyclic compounds Epoxides Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Medium-chain fatty acid - Branched fatty acid - Epoxy fatty acid - Fatty acid ester - Heterocyclic fatty acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen 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
Not available