Compound Identification
SMILES
[Na+].CC(C)CCCC(C)(O)[C@H]1[C@@H](O)CC2C3CC(OS([O-])(=O)=O)C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC1OC(C(O)C(O)C1O)C([O-])=O
InChIKey
InChIKey=GFTJNZVBUVBMIX-PFDFOQQASA-L
Formula
C33H54NaO13S
Mass
713.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroidal glycosides
- Level 5 Steroid glucuronide conjugates
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Subclass
Steroidal glycosides
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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
Steroidal glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Steroid glucuronide conjugates
Alternative Parents
Diterpene glycosides Cholesterols and derivatives 16-beta-hydroxysteroids Diterpenoids Sulfated steroids O-glucuronides O-glycosyl compounds Beta hydroxy acids and derivatives Oxanes Pyrans Monosaccharides Sulfuric acid monoesters Alkyl sulfates Tertiary alcohols Carboxylic acid salts Secondary alcohols Cyclic alcohols and derivatives Polyols Acetals Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organic sodium salts Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene glycoside - Steroid-glucuronide-skeleton - Cholesterol - Cholestane-skeleton - Sulfated steroid skeleton - 20-hydroxysteroid - Diterpenoid - Hydroxysteroid - 16-beta-hydroxysteroid - 16-hydroxysteroid - Terpene glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Sulfuric acid ester - Alkyl sulfate - Oxane - Pyran - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Tertiary alcohol - Cyclic alcohol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Polyol - Oxacycle - Organic alkali metal salt - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic sodium salt - Carbonyl group - Organic salt - Organooxygen compound - 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