Compound Identification
SMILES
CCSC(=O)C(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC3CCCCO3)[C@]12C)OC1CCCCO1)OC1CCCCO1
InChIKey
InChIKey=ZXCGQXXOJNMFEH-LPXCBGRUSA-N
Formula
C44H72O8S
Mass
761.11
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Bile acids, alcohols and derivatives
Alternative Parents
Oxosteroids Fatty acyl thioesters Oxanes 1,3-dicarbonyl compounds Thioesters Ketones Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Carboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
24-oxosteroid - Bile acid, alcohol, or derivatives - Oxosteroid - Fatty acyl thioester - Oxane - 1,3-dicarbonyl compound - Ketone - Thiocarboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Sulfenyl compound - Acetal - Aldehyde - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available