Compound Identification
SMILES
C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=FCOCCOWPTKNMKW-PPIUQDRYSA-N
Formula
C27H44O4
Mass
432.645
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
Monohydroxy bile acids, alcohols and derivatives
Alternative Parents
Steroid acids 7-hydroxysteroids 3-oxo-5-alpha-steroids Medium-chain fatty acids Hydroxy fatty acids Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Monohydroxy bile acid, alcohol, or derivatives - Steroid acid - 3-oxosteroid - Hydroxysteroid - 3-oxo-5-alpha-steroid - 7-hydroxysteroid - Oxosteroid - Medium-chain fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Cyclic alcohol - Cyclic ketone - Ketone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
External Descriptors
LIPIDMAPS (LMST04030132) : C27 bile acids, alcohols, and derivatives