Compound Identification
SMILES
COC1=CC=C(C=C1)C(OC[C@@H]1CC(OP(=O)(OC[C@@H]2CC(OP(=O)(OC[C@H]3O[C@H]([C@H](OC(=O)OCC4=CC=C(C=C4)[N+]([O-])=O)[C@@H]3OCCOCCOC(=O)OC3CC[C@@]4(C)C5CC[C@@]6(C)C(CCC6C5CC=C4C3)[C@H](C)CCCC(C)C)N3C=NC4=C3N=CN=C4NC(=O)OCC3=CC=C(C=C3)[N+]([O-])=O)OOCC3=CC=C(C=C3)[N+]([O-])=O)[C@@H](O2)N2C=NC3=C2N=CN=C3NC(=O)OCC2=CC=C(C=C2)[N+]([O-])=O)OOC2=CC=C(C=C2)[N+]([O-])=O)[C@@H](O1)N1C=NC2=C1N=CN=C2NC(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=RCKJIVWTCMHITM-ZESIHTPESA-N
Formula
C127H133N21O41P2
Mass
2671.515
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
Cholestane steroids
- Level 5 Cholesterols and derivatives
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Subclass
Cholestane steroids
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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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholesterols and derivatives
Alternative Parents
Steroidal glycosides Purine deoxyribonucleoside 2',5'-bisphosphates Purine ribonucleoside monophosphates Triphenyl compounds Delta-5-steroids Pentose phosphates Glycosylamines Benzyloxycarbonyls Monosaccharide phosphates Benzylethers Purines and purine derivatives Nitrobenzenes Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Dialkyl phosphates Carbonic acid diesters Pyrimidines and pyrimidine derivatives N-substituted imidazoles Imidolactams Carbamate esters Oxolanes Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Organonitrogen compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cholesterol - Steroidal glycoside - Purine deoxyribonucleoside 2',5'-bisphosphate - Purine deoxyribonucleoside bisphosphate - Purine ribonucleoside monophosphate - Triphenyl compound - Delta-5-steroid - Pentose phosphate - Pentose-5-phosphate - N-glycosyl compound - Glycosyl compound - Benzyloxycarbonyl - Monosaccharide phosphate - Purine - Benzylether - Nitrobenzene - Imidazopyrimidine - Methoxybenzene - Phenol ether - Nitroaromatic compound - Anisole - Phenoxy compound - Dialkyl phosphate - Alkyl aryl ether - Pyrimidine - Organic phosphoric acid derivative - Monocyclic benzene moiety - Alkyl phosphate - N-substituted imidazole - Phosphoric acid ester - Carbonic acid diester - Benzenoid - Monosaccharide - Imidolactam - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Oxolane - Carbonic acid derivative - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic zwitterion - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Aromatic 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