Compound Identification
SMILES
CC(CO)CCC(=O)C(C)C1C(N)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
InChIKey
InChIKey=HPVDBKDIVXURKD-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
Oxosteroids 3-hydroxy delta-5-steroids Delta-5-steroids Gamma-amino ketones Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
26-hydroxysteroid - Dihydroxy bile acid, alcohol, or derivatives - 22-oxosteroid - 21-oxosteroid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-5-steroid - Gamma-aminoketone - Cyclic alcohol - Secondary alcohol - Ketone - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Amine - Alcohol - Organic oxygen 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