Compound Identification
SMILES
C[C@H](CCC(=O)NC1=CC=CC=C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C)OOC(C)(C)OO5)OC(C)=O
InChIKey
InChIKey=VKOUJWZHKUSCOW-QNPJKSDRSA-N
Formula
C37H53NO9
Mass
655.829
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
Steroid esters Anilides N-arylamides Fatty amides Dicarboxylic acids and derivatives Secondary carboxylic acid amides Dialkyl peroxides Carboxylic acid esters Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - Anilide - N-arylamide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Benzenoid - Fatty acyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Dialkyl peroxide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic 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