Compound Identification
SMILES
C[C@H](C\C=C\C(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=HTHIXBFFDWLAFX-FGQCIORFSA-N
Formula
C27H44O4
Mass
432.645
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
Steroid acids 7-hydroxysteroids 3-alpha-hydroxysteroids Medium-chain fatty acids Methyl-branched fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Cholesterol-skeleton - Steroid acid - 3-hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Medium-chain fatty acid - Branched fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Cyclic alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic homopolycyclic 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
LIPIDMAPS (LMST04030060) : C27 bile acids, alcohols, and derivatives