Compound Identification
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)C1C(O)(CC(O)=O)C(O)CC(O)=O
InChIKey
InChIKey=GQXJQMIGSZPEDU-NPIFFBNISA-N
Formula
C26H34O7
Mass
458.551
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
Steroid acids 3-oxo delta-1,4-steroids Hydroxysteroids Delta-1,4-steroids Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Dicarboxylic acids and derivatives Tertiary alcohols 1,2-diols Secondary alcohols Cyclic ketones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Dihydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - Steroid acid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - Hydroxysteroid - Delta-1,4-steroid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Fatty acyl - Dicarboxylic acid or derivatives - Hydroxy acid - Tertiary alcohol - Secondary alcohol - 1,2-diol - Cyclic ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available