Compound Identification
SMILES
COC(=O)CNC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
InChIKey
InChIKey=IZXOLINGGGWDPJ-UHFFFAOYSA-N
Formula
C27H45NO5
Mass
463.659
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Glycinated bile acids and derivatives
Alternative Parents
Dihydroxy bile acids, alcohols and derivatives 12-hydroxysteroids 3-hydroxysteroids Alpha amino acid esters N-acyl-alpha amino acids and derivatives N-acyl amines Methyl esters Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Glycinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Fatty acyl - Fatty amide - N-acyl-amine - Cyclic alcohol - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton.
External Descriptors
Not available