Compound Identification
SMILES
[Na+].CCCCC(=O)O[C@@]1([C@H](C)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)C([O-])C[C@]12C)C(=O)COP(O)(O)=O
InChIKey
InChIKey=NOTYPXXHGFRVKH-CMNQNAFLSA-N
Formula
C27H36F2NaO9P
Mass
596.536
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
Steroid esters 20-oxosteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids O-acylglycerone-phosphates Alpha-acyloxy ketones Monoalkyl phosphates Carboxylic acid esters Cyclic ketones Organic metal halides Monocarboxylic acids and derivatives Organofluorides Hydrocarbon derivatives Organic oxides Alkyl fluorides Alkoxides Organic sodium salts Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - Steroid ester - 9-halo-steroid - 6-halo-steroid - Halo-steroid - 3-oxo-delta-1,4-steroid - Oxosteroid - 3-oxosteroid - Delta-1,4-steroid - O-acylglycerone-phosphate - Glycerone phosphate - Monoalkyl phosphate - Alpha-acyloxy ketone - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Organic metal halide - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl fluoride - Organic oxide - Organic salt - Organic sodium salt - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkoxide - Organofluoride - Carbonyl group - Alkyl halide - Organic cation - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
External Descriptors
Not available