Compound Identification
SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC(=O)NC3=CC=CC=C3)[C@]12C)NC1=NCCCN1)OC(=O)NC1=CC=CC=C1
InChIKey
InChIKey=SVSQKQRQFLZHKX-FVTPRABRSA-N
Formula
C43H59N5O6
Mass
741.974
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
Bile acids, alcohols and derivatives
Alternative Parents
Pregnane-type alkaloids Azasteroids and derivatives Phenylcarbamic acid esters Alkaloids and derivatives Fatty acid methyl esters Hydropyrimidines Carbamate esters Methyl esters Guanidines Carboximidamides Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Pregnane-type alkaloid - Steroidal alkaloid - Azasteroid - Phenylcarbamic acid ester - Alkaloid or derivatives - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available