Compound Identification
SMILES
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@](O)(CCCN(C)C5=CC=C(C=C5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
InChIKey=GQEQHLNZHYICRU-BUMLABJASA-N
Formula
C54H75NO7
Mass
850.194
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Tetrahydroxy bile acids, alcohols and derivatives
Alternative Parents
12-hydroxysteroids 17-hydroxysteroids 3-alpha-hydroxysteroids 3-oxosteroids 7-hydroxysteroids Dialkylarylamines Aniline and substituted anilines Cyclohexenones Ynones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Amino acids Polyols Monocarboxylic acids and derivatives Acetylides Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetrahydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 3-oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Oxosteroid - 7-hydroxysteroid - 17-hydroxysteroid - 3-alpha-hydroxysteroid - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Ynone - Cyclic alcohol - Tertiary alcohol - Cyclic ketone - Tertiary amine - Secondary alcohol - Amino acid - Amino acid or derivatives - Ketone - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Acetylide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Amine - Alcohol - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.
External Descriptors
Not available