Compound Identification
SMILES
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COS(O)(=O)=O
InChIKey
InChIKey=JOVLCJDINAUYJW-OXPLYMOZSA-N
Formula
C21H30O8S
Mass
442.52
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
Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-oxo delta-4-steroids 17-hydroxysteroids 11-hydroxysteroids Delta-4-steroids Cyclohexenones Sulfuric acid monoesters Alkyl sulfates Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - Sulfated steroid skeleton - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - 17-hydroxysteroid - 11-hydroxysteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Alpha-hydroxy ketone - Tertiary alcohol - Ketone - Cyclic ketone - Secondary alcohol - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Aliphatic 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
KEGG (C02822) : sulfates - C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives