Compound Identification
SMILES
CC(C)[C@H](CC[C@@H](C)[C@H]1C[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@H]3[C@@H](O)C[C@@]21O)O[C@@H]1O[C@@H](CO)[C@H](OS([O-])(=O)=O)[C@H]1O
InChIKey
InChIKey=LRTOHOJZAAJPMB-FBDZCAQJSA-M
Formula
C32H55O12S
Mass
663.84
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
Trihydroxy bile acids, alcohols and derivatives
Alternative Parents
Vitamin D and derivatives Triterpenoids 6-hydroxysteroids 3-beta-hydroxysteroids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Pentoses Sulfuric acid monoesters Alkyl sulfates Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Trihydroxy bile acid, alcohol, or derivatives - 3-beta-hydroxysteroid - Hydroxysteroid - 15-hydroxysteroid - 6-hydroxysteroid - 3-hydroxysteroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Pentose monosaccharide - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Monosaccharide - Tetrahydrofuran - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic anion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
External Descriptors
Not available