Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCCCCCCNC[C@H]1O[C@H](S)[C@@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=NRQRCAUMBCSSMX-LFMDNDDKSA-N
Formula
C39H69NO5S
Mass
664.04
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Cholestane steroids
- Level 5 Cholesterols and derivatives
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Subclass
Cholestane steroids
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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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholesterols and derivatives
Alternative Parents
Delta-5-steroids Oxanes Monosaccharides Secondary alcohols 1,2-diols Oxacyclic compounds Dialkylamines Dialkyl ethers Alkylthiols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cholesterol - Delta-5-steroid - Monosaccharide - Oxane - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Polyol - Oxacycle - Secondary amine - Alkylthiol - Dialkyl ether - Secondary aliphatic amine - Ether - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
External Descriptors
Not available