Compound Identification
SMILES
C[C@H](CCC([O-])=NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1CC3=O
InChIKey
InChIKey=VXWYZDSFMHCNQA-FEUVUQTJSA-M
Formula
C26H42NO7S
Mass
512.68
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
7-oxosteroids 3-alpha-hydroxysteroids 12-hydroxysteroids Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary alcohols Ketones Cyclic alcohols and derivatives Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Dihydroxy bile acid, alcohol, or derivatives - 7-oxosteroid - 3-alpha-hydroxysteroid - Oxosteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Secondary alcohol - Ketone - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organic anion - 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