Compound Identification
SMILES
CCCC1CCC2OC3C(C2CC1)C(O)CCCC3(O)C(C)(O)C1CCC2(O)C3=C(NCC(C)O)C(=O)C4CC(O)C(O)CC44CC(C=CC34C(O)CC12CCO)C1=C(CCCO)NC(N)C=C1
InChIKey
InChIKey=ADHQOVAAFZVSCE-UHFFFAOYSA-N
Formula
C53H83N3O12
Mass
954.256
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Stigmastanes and derivatives
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Stigmastanes and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Stigmastanes and derivatives
Alternative Parents
Vitamin D and derivatives Triterpenoids Hydroxy bile acids, alcohols and derivatives Polyprenols 6-oxosteroids 3-hydroxysteroids 14-hydroxysteroids 11-hydroxysteroids Dihydropyridines Cyclohexenones Alpha-branched alpha,beta-unsaturated ketones Tetrahydrofurans Tertiary alcohols Enones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Stigmastane-skeleton - Hexahydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - Bile acid, alcohol, or derivatives - Polyprenol skeleton - 20-hydroxysteroid - 6-oxosteroid - 11-hydroxysteroid - Oxosteroid - Hydroxysteroid - 14-hydroxysteroid - 2-hydroxysteroid - 3-hydroxysteroid - Cyclohexenone - Dihydropyridine - Alpha-branched alpha,beta-unsaturated-ketone - Hydropyridine - Alpha,beta-unsaturated ketone - Tetrahydrofuran - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Secondary alcohol - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24.
External Descriptors
Not available