Compound Identification
SMILES
CC(C)C[C@@H]1O[C@H]1[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@H](OS([O-])(=O)=O)[C@H]4C[C@@H](CC[C@]4(C)C3=CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O
InChIKey
InChIKey=CDWQTHXFAOWZPF-YGEPPQGBSA-L
Formula
C33H50O12S
Mass
670.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal glycosides
- Level 5 Steroid glucuronide conjugates
-
Subclass
Steroidal glycosides
-
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
Steroidal glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Steroid glucuronide conjugates
Alternative Parents
Vitamin D and derivatives Triterpenoids Pregnane steroids Sulfated steroids Fatty acyl glycosides of mono- and disaccharides O-glucuronides Hexoses Alkyl glycosides Sulfated fatty acids Short-chain hydroxy acids and derivatives Hydroxy fatty acids Epoxy fatty acids Branched fatty acids Beta hydroxy acids and derivatives Sulfuric acid monoesters Pyrans Oxanes Alkyl sulfates Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Steroid-glucuronide-skeleton - Sulfated steroid skeleton - Pregnane-skeleton - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Alkyl glycoside - Sulfated fatty acid - Short-chain hydroxy acid - Hydroxy fatty acid - Heterocyclic fatty acid - Epoxy fatty acid - Branched fatty acid - Beta-hydroxy acid - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyran - Oxane - Monosaccharide - Hydroxy acid - Organic sulfuric acid or derivatives - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic anion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.
External Descriptors
Not available