Compound Identification
SMILES
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)OS([O-])(=O)=O.C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
InChIKey
InChIKey=PCTMTFRHKVHKIS-BMFZQQSSSA-M
Formula
C74H118NO21S
Mass
1389.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Cholestane steroids
- Level 5 Cholesterols and derivatives
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Subclass
Cholestane 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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholesterols and derivatives
Alternative Parents
Steroidal glycosides Steroid lactones Aminoglycosides Delta-5-steroids Sulfated steroids Macrolides and analogues Hexoses O-glycosyl compounds Beta hydroxy acids and derivatives Sulfuric acid monoesters Alkyl sulfates Oxanes Dicarboxylic acids and derivatives 1,2-aminoalcohols Secondary alcohols Amino acids Carboxylic acid esters Hemiacetals Lactones Carboxylic acids Acetals Polyols Oxacyclic compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines Organic anions
Molecular Framework
Not available
Substituents
Cholesterol - Steroidal glycoside - Steroid lactone - Sulfated steroid skeleton - Aminoglycoside core - Delta-5-steroid - Macrolide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Amino saccharide - Alkyl sulfate - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Oxane - Sulfuric acid ester - Sulfuric acid monoester - Sulfate-ester - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Amino acid or derivatives - Secondary alcohol - Carboxylic acid ester - Hemiacetal - Amino acid - Lactone - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Acetal - Organopnictogen compound - Organic oxygen compound - Amine - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Alcohol - Hydrocarbon derivative - Organic anion - Aliphatic heteropolycyclic 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