Compound Identification
SMILES
CC(CCC(O)C(C)C(=O)SCCN)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
InChIKey
InChIKey=KNTLGYQRTJOUEW-UHFFFAOYSA-N
Formula
C29H51NO5S
Mass
525.79
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
Tetrahydroxy bile acids, alcohols and derivatives
Alternative Parents
12-hydroxysteroids 3-hydroxysteroids 7-hydroxysteroids Fatty acyl thioesters Thioesters Secondary alcohols Amino acids and derivatives Cyclic alcohols and derivatives Carbothioic S-esters Sulfenyl compounds Polyols Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Tetrahydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - Fatty acyl thioester - Cyclic alcohol - Amino acid or derivatives - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Sulfenyl compound - Polyol - Thiocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Primary amine - Amine - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.
External Descriptors
Not available