Compound Identification
SMILES
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)COS(O)(=O)=O)[C@]3(C[C@H](O)[C@H]21)C=O
InChIKey
InChIKey=LWCMITUCQRJZGP-ZVIOFETBSA-N
Formula
C21H28O8S
Mass
440.51
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
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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 11-beta-hydroxysteroids Delta-4-steroids Cyclohexenones Sulfuric acid monoesters Alkyl sulfates Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Sulfated steroid skeleton - Progestogin-skeleton - Pregnane-skeleton - 20-oxosteroid - 18-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Cyclohexenone - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - 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
Not available