Compound Identification
SMILES
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1[C@H]([O-])O[C@@H]([C@H](O)[C@H]1O)C([O-])=O
InChIKey
InChIKey=CNGLDSGNOANJLT-SSLYPVKASA-M
Formula
C32H51NO11S
Mass
657.82
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
Taurinated bile acids and derivatives
Alternative Parents
Glucuronic acid derivatives Beta hydroxy acids and derivatives Monosaccharides Pyrans Oxanes N-acyl amines Alkanesulfonic acids Sulfonyls Organosulfonic acids Secondary alcohols Secondary carboxylic acid amides Carboxylic acid salts 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Alkoxides Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Taurinated bile acid - Glucuronic acid or derivatives - Beta-hydroxy acid - N-acyl-amine - Oxane - Pyran - Monosaccharide - Hydroxy acid - Fatty acyl - Fatty amide - Sulfonyl - Organosulfonic acid - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - 1,2-diol - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alkoxide - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic anion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety.
External Descriptors
Not available