Compound Identification
SMILES
[Na+].CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OS([O-])(=O)=O
InChIKey
InChIKey=GXTHZWLVUKTTKK-WPYCEHDGSA-M
Formula
C27H43NaO5S
Mass
502.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Cholestane steroids
- Level 5 Cholesterols and derivatives
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Subclass
Cholestane steroids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholesterols and derivatives
Alternative Parents
7-oxosteroids Delta-5-steroids Sulfated steroids Cyclohexenones Sulfuric acid monoesters Alkyl sulfates Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Sulfated steroid skeleton - Oxosteroid - 7-oxosteroid - Delta-5-steroid - Cyclohexenone - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Ketone - Organic alkali metal salt - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic cation - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
External Descriptors
Not available