Compound Identification
SMILES
CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN1C=C(N=C21)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BMSJAKWTOVBQOM-XWZUVNSGSA-N
Formula
C54H99N9O12P2
Mass
1128.385
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Nucleosides, nucleotides, and analogues
-
Class
Purine nucleotides
- Subclass Purine ribonucleotides
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Class
Purine nucleotides
-
Superclass
Nucleosides, nucleotides, and analogues
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Purine nucleotides
Subclass
Purine ribonucleotides
Intermediate Tree Nodes
Not available
Direct Parent
Purine ribonucleoside diphosphates
Alternative Parents
Pentose phosphates Glycosylamines Phenylimidazoles Monosaccharide phosphates Organic pyrophosphates Purines and purine derivatives Nitrobenzenes Nitroaromatic compounds Pyrimidines and pyrimidine derivatives Alkyl phosphates N-substituted imidazoles Quaternary ammonium salts Oxolanes Heteroaromatic compounds Secondary alcohols 1,2-diols Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Not available
Substituents
Purine ribonucleoside diphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 5-phenylimidazole - 4-phenylimidazole - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Nitrobenzene - Purine - Nitroaromatic compound - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Benzenoid - Quaternary ammonium salt - Imidazole - Heteroaromatic compound - Oxolane - Azole - Organic nitro compound - 1,2-diol - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Secondary alcohol - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Amine - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
External Descriptors
Not available