Compound Identification
SMILES
C[C@H](CCC(=O)NCCP(O)(O)=O)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
InChIKey=BGUPNWPPECTFDP-RUUYYOGZSA-N
Formula
C26H46NO7P
Mass
515.628
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
Trihydroxy bile acids, alcohols and derivatives
Alternative Parents
7-hydroxysteroids 3-alpha-hydroxysteroids 12-hydroxysteroids N-acyl amines Organic phosphonic acids Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Polyols Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Trihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - Fatty amide - N-acyl-amine - Fatty acyl - Cyclic alcohol - Organophosphonic acid derivative - Organophosphonic acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Polyol - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Carbonyl group - Organic oxide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
External Descriptors
KEGG (C05683) : C26 bile acids, alcohols, and derivatives