Compound Identification
SMILES
COC1=CC=C(C=C1)C(OC[C@@H]1C[C@@H](O[P+]([O-])(OCCC2=CC=C(C=C2)[N+]([O-])=O)OC[C@@H]2C[C@@H](O[P+]([O-])(OCCC3=CC=C(C=C3)[N+]([O-])=O)OC[C@H]3O[C@H]([C@H](OC(=O)OCCC4=CC=C(C=C4)[N+]([O-])=O)[C@@H]3OCCCCCC(=O)O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)[C@H](CC[C@H]6[C@@H]5CC=C4C3)[C@H](C)CCCC(C)C)N3C=NC4=C(N=C(O)OCCC5=CC=C(C=C5)[N+]([O-])=O)N=CN=C34)[C@@H](O2)N2C=NC3=C(N=C(O)OCCC4=CC=C(C=C4)[N+]([O-])=O)N=CN=C23)[C@@H](O1)N1C=NC2=C(N=C(O)OCCC3=CC=C(C=C3)[N+]([O-])=O)N=CN=C12)(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=UZLCRIPCOUICMX-QPKXVYIKSA-N
Formula
C135H149N21O37P2
Mass
2719.735
Taxonomic Classification
Taxonomy Tree
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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 Steroidal glycosides Triphenyl compounds Purine 3'-deoxyribonucleosides Delta-5-steroids Glycosylamines Purines and purine derivatives Benzylethers Nitrobenzenes Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Carbonic acid diesters Monosaccharides N-substituted imidazoles Heteroaromatic compounds Oxolanes Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Carboximidic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cholesteryl ester - Cholesterol - Steroidal glycoside - Cholestane-skeleton - Triphenyl compound - Purine 3'-deoxyribonucleoside - Delta-5-steroid - Purine nucleoside - Glycosyl compound - N-glycosyl compound - Imidazopyrimidine - Nitrobenzene - Purine - Benzylether - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Carbonic acid diester - Pyrimidine - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Azole - Imidazole - Oxolane - Heteroaromatic compound - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carbonic acid derivative - Carboximidic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Dialkyl ether - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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