Compound Identification
SMILES
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@@H](CC[C@@]34C)C(C)(C)C=O)[C@@H]12)C(O)=O
InChIKey
InChIKey=MHLBXLHEIGKUET-INPVNEGFSA-N
Formula
C30H45NO3
Mass
467.694
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
Steroid acids
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Level 5
3-carboxy steroids
- Level 6 3-carboxy-20-oxosteroids
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Level 5
3-carboxy steroids
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Subclass
Steroid acids
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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
Steroid acids
Intermediate Tree Nodes
3-carboxy steroids
Direct Parent
3-carboxy-20-oxosteroids
Alternative Parents
20-oxosteroids Androstane steroids 18-hydroxysteroids Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
3-carboxy-20-oxosteroid - 20-oxosteroid - Androstane-skeleton - 18-hydroxysteroid - 18-oxosteroid - Hydroxysteroid - Oxosteroid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Aldehyde - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-carboxy-20-oxosteroids. These are steroid compounds that carry a carboxyl group and a C=O group at the C3- and C20-positions of the steroid backbone, respectively.
External Descriptors
Not available