Compound Identification
SMILES
CC(CCCC(C)C(N)=O)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C
InChIKey
InChIKey=YGDLWAXFPFKPCZ-UHFFFAOYSA-N
Formula
C27H45NO3
Mass
431.661
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
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
7-hydroxysteroids 3-hydroxy delta-5-steroids Delta-5-steroids Fatty amides Secondary alcohols Primary carboxylic acid amides Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Dihydroxy bile acid, alcohol, or derivatives - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - Delta-5-steroid - Fatty acyl - Fatty amide - Cyclic alcohol - Carboxamide group - Secondary alcohol - Primary carboxylic acid amide - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available