Compound Identification
SMILES
[H][C@](C)(C(C)C)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@]([H])(O)[C@]([H])(O)C[C@]4(C)[C@@]3([H])CC[C@]12C
InChIKey
InChIKey=VYUIKSFYFRVQLF-YLNAYWRASA-N
Formula
C28H48O5
Mass
464.687
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
Tetrahydroxy bile acids, alcohols and derivatives
Alternative Parents
Ergosterols and derivatives Ecdysteroids 6-oxosteroids 3-alpha-hydroxysteroids Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - Ergostane-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - Ecdysteroid - 23-hydroxysteroid - 22-hydroxysteroid - 3-hydroxysteroid - 2-hydroxysteroid - Hydroxysteroid - Oxosteroid - 6-oxosteroid - 3-alpha-hydroxysteroid - Cyclic alcohol - Ketone - Secondary alcohol - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.
External Descriptors
CHEBI:23051 :
3alpha-hydroxy steroid - 23-hydroxy steroid - 6-oxo steroid - 22-hydroxy steroid - brassinosteroid - 2alpha-hydroxy steroid
LIPIDMAPS (LMST01030129) :
Ergosterols and C24-methyl derivatives