Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+]
InChIKey
InChIKey=YETBIFKAXMZUBC-YGLQZITISA-N
Formula
C44H73F9N4O8
Mass
957.074
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
-
Subclass
Cholestane steroids
-
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
Delta-5-steroids Quaternary ammonium salts Carbamate esters Alpha-halocarboxylic acids Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organofluorides Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Cholesterol - Delta-5-steroid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carbamic acid ester - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Alkyl halide - Organic zwitterion - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Carbonyl group - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - 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