Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(=O)OC[C@@H]1C[C@@H](OP(O)(=O)OC[C@@H]2C[C@@H](OP(O)(=O)OC[C@@H]3C[C@@H](O)[C@@H](O3)N3C=NC4=C3N=CN=C4N)[C@@H](O2)N2C=NC3=C2N=CN=C3N)[C@@H](O1)N1C=NC2=C1N=CN=C2N
InChIKey
InChIKey=XBVQHWZFSJCNAK-SUARUMDDSA-N
Formula
C61H85N15O16P2
Mass
1346.388
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid esters
- Level 5 Cholesteryl esters
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Subclass
Steroid esters
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cholesteryl esters
Alternative Parents
Cholesterols and derivatives Purine deoxyribonucleoside 2',5'-bisphosphates Purine 3'-deoxyribonucleoside monophosphates Delta-5-steroids 6-aminopurines Aminopyrimidines and derivatives Dialkyl phosphates N-substituted imidazoles Imidolactams Dicarboxylic acids and derivatives Oxolanes Heteroaromatic compounds Secondary alcohols Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Primary amines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cholesteryl ester - Cholesterol - Cholestane-skeleton - Purine deoxyribonucleoside 2',5'-bisphosphate - Purine deoxyribonucleoside bisphosphate - Purine 3'-deoxyribonucleoside monophosphate - Delta-5-steroid - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Dialkyl phosphate - Alkyl phosphate - Pyrimidine - Imidolactam - Dicarboxylic acid or derivatives - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Azole - Imidazole - Heteroaromatic compound - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Primary amine - Carbonyl group - Alcohol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholesteryl esters. These are compounds containing an esterified cholestane moiety.
External Descriptors
Not available