Compound Identification
SMILES
C[C@H](CCC(=O)NC1=CC(=CC=C1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
InChIKey=JWRLMFMPILNKMA-SPAMUSSJSA-N
Formula
C30H46N2O6S
Mass
562.77
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
12-hydroxysteroids 3-alpha-hydroxysteroids 7-hydroxysteroids Benzenesulfonamides Anilides Benzenesulfonyl compounds N-arylamides Organosulfonamides Fatty amides Aminosulfonyl compounds Cyclic alcohols and derivatives Secondary carboxylic acid amides Secondary alcohols Polyols Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Trihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - Benzenesulfonamide - Benzenesulfonyl group - Anilide - N-arylamide - Monocyclic benzene moiety - Fatty amide - Organosulfonic acid amide - Fatty acyl - Benzenoid - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Polyol - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Alcohol - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homopolycyclic 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