Compound Identification
SMILES
CC(=O)OC1CC2CCC3C4CC(C(OC5OC(C(O)C(O)C5O)C(O)=O)C4(C)CCC3C2(C)CC1N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1
InChIKey
InChIKey=WVMPRPOLWUGDGF-UHFFFAOYSA-O
Formula
C39H68N4O9
Mass
736.991
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Steroid esters Androstane steroids O-glucuronides O-glycosyl compounds Beta hydroxy acids and derivatives N-methylpiperazines Dicarboxylic acids and derivatives Monosaccharides Pyrans Oxanes Tetraalkylammonium salts Trialkylamines Secondary alcohols Amino acids Carboxylic acid esters Polyols Acetals Carboxylic acids Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organopnictogen compounds Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroid-glucuronide-skeleton - Steroid ester - Androstane-skeleton - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Oxane - Piperazine - Pyran - Quaternary ammonium salt - Tetraalkylammonium salt - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Amino acid - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Organic salt - Organic oxygen compound - Alcohol - Organopnictogen compound - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - 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