Compound Identification
SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12.CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
InChIKey
InChIKey=DOTOZVYDCVZZEG-LRRLRWCASA-N
Formula
C48H74O11
Mass
827.109
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Medium-chain hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain hydroxy acids and derivatives
Alternative Parents
Fatty alcohols Medium-chain fatty acids Beta hydroxy acids and derivatives Branched fatty acids Hydroxy fatty acids Fatty acid esters Delta valerolactones Oxanes Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Oxacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Fatty alcohol - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Branched fatty acid - Delta valerolactone - Fatty acid ester - Hydroxy fatty acid - Delta_valerolactone - Fatty acyl - Oxane - Dicarboxylic acid or derivatives - Lactone - Secondary alcohol - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organooxygen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available