Compound Identification
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C]4[CH-]C([H])(CC[C@]4(C(O)=O)[C@@]3([H])C([H])(O)C[C@]12C)[O+](C1([H])OC([H])(CO)C([H])(O)C([H])(O)C1([H])O)S(O)(=O)=O)OC1([H])OC([H])(C(O)=O)C([H])(O)C([H])(O)C1([H])O
InChIKey
InChIKey=KCCMFFKMZWIIOH-JYQXWSPOSA-N
Formula
C31H47O19S
Mass
755.76
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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
-
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
19-oxosteroids Androstane steroids 11-hydroxysteroids Sulfated steroids O-glucuronides O-glycosyl compounds Monosaccharide sulfates Beta hydroxy acids and derivatives Sulfuric acid monoesters Pyrans Oxanes Dicarboxylic acids and derivatives Alkyl sulfates Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Carboxylic acids Acetals Primary alcohols Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroid-glucuronide-skeleton - Sulfated steroid skeleton - 19-oxosteroid - 19-hydroxysteroid - Androstane-skeleton - 11-hydroxysteroid - Oxosteroid - Hydroxysteroid - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Glycosyl compound - Monosaccharide sulfate - Beta-hydroxy acid - Alkyl sulfate - Sulfate-ester - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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