Compound Identification
SMILES
CC(C)[C@@H](CC[C@@H](C)C1CCC2C3[C@@H](O)CC4C[C@H](CC[C@]4(C)C3CC[C@]12C)NCCCN1CCCNCC1)OS(O)(=O)=O
InChIKey
InChIKey=KDDDVGYSJKORDE-WHRAYAMBSA-N
Formula
C35H65N3O5S
Mass
639.98
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
Monohydroxy bile acids, alcohols and derivatives
Alternative Parents
Pregnane-type alkaloids 7-alpha-hydroxysteroids Azasteroids and derivatives Sulfated steroids Alkaloids and derivatives 1,4-diazepanes Sulfuric acid monoesters Alkyl sulfates Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Monohydroxy bile acid, alcohol, or derivatives - Sulfated steroid skeleton - Steroidal alkaloid - Pregnane-type alkaloid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - Hydroxysteroid - Azasteroid - Alkaloid or derivatives - Diazepane - 1,4-diazepane - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
External Descriptors
Not available