Compound Identification
SMILES
CC12CCC3C(CCC4=C3C=CC(OS([O-])(=O)=O)=C4)C1CCC2=O
InChIKey
InChIKey=JKKFKPJIXZFSSB-UHFFFAOYSA-M
Formula
C18H21O5S
Mass
349.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Sulfated 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
Sulfated steroids
Intermediate Tree Nodes
Not available
Direct Parent
Sulfated steroids
Alternative Parents
Estrane steroids 17-oxosteroids Phenanthrenes and derivatives Tetralins Arylsulfates Sulfuric acid monoesters Ketones Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Sulfated steroid skeleton - Estrane-skeleton - 17-oxosteroid - Oxosteroid - Phenanthrene - Arylsulfate - Tetralin - Benzenoid - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Organic sulfuric acid or derivatives - Ketone - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic anion - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.
External Descriptors
META CYC (ESTRONE-SULFATE) : a small molecule