Compound Identification
SMILES
C[C@H](CC\C=C(/C)CO)[C@H]1C[C@H](OS(O)(=O)=O)[C@]2(O)[C@]1(C)CCC1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)C[C@@]21O
InChIKey
InChIKey=OUDSZYKWVRYADP-RXPGTAIOSA-N
Formula
C27H46O10S
Mass
562.72
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
Pentahydroxy bile acids, alcohols and derivatives
Alternative Parents
6-hydroxysteroids 3-beta-hydroxysteroids 14-hydroxysteroids Sulfated steroids Sulfuric acid monoesters Alkyl sulfates Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Pentahydroxy bile acid, alcohol, or derivatives - 26-hydroxysteroid - Sulfated steroid skeleton - 3-beta-hydroxysteroid - Hydroxysteroid - 6-hydroxysteroid - 14-hydroxysteroid - 4-hydroxysteroid - 3-hydroxysteroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
External Descriptors
Not available