Compound Identification
SMILES
CC1=CN(C2CC(OP(O)(=O)OCC3OC(CC3OP(O)(=O)OCC3OC(CC3OP(O)(=O)OCC3OC(CC3OP(O)(=O)OCC3OC(CC3OP(O)(=O)OCC3OC(CC3OP(O)(=O)OCC3OC(CC3OP(O)(=O)OCC3OC(CC3OP(O)(=O)OCC3OC(CC3OP(O)(=S)OCC3OC(CC3OP(S)(=O)OCC3OC(CC3OP(O)(=S)OCC3OC(CC3O)N3C=NC4=C3N=C(N)NC4=O)N3C=NC4=C3N=C(N)NC4=O)N3C=C(C)C(=O)NC3=O)N3C=NC4=C3N=CN=C4N)N3C=NC4=C3N=CN=C4N)N3C=NC4=C3N=CN=C4N)N3C=NC4=C3N=CN=C4N)N3C=NC4=C3N=C(N)NC4=O)N3C=C(C)C(=O)NC3=O)N3C=CC(N)=NC3=O)N3C=C(C)C(=O)NC3=O)C(COP(O)(=O)OC3CC(OC3COP(O)(=O)OC3CC(OC3COP(O)(=O)OC3CC(OC3COP(O)(=O)OC3CC(OC3COP(O)(=O)OC3CC(OC3COP(O)(=O)OC3CC(OC3COP(O)(=S)OC3CC(OC3COP(O)(=S)OC3CC(OC3CO)N3C=NC4=C3N=CN=C4N)N3C=CC(N)=NC3=O)N3C=NC4=C3N=CN=C4N)N3C=CC(N)=NC3=O)N3C=CC(N)=NC3=O)N3C=CC(N)=NC3=O)N3C=NC4=C3N=CN=C4N)N3C=NC4=C3N=CN=C4N)O2)C(=O)NC1=O
InChIKey
InChIKey=BNMQQZWPFIILMX-UHFFFAOYSA-N
Formula
C195H245N78O109P19S5
Mass
6174.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Nucleosides, nucleotides, and analogues
- Class Purine nucleotides
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Superclass
Nucleosides, nucleotides, and analogues
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Purine nucleotides
Subclass
Purine deoxyribonucleotides
Intermediate Tree Nodes
Purine deoxyribonucleoside bisphosphates
Direct Parent
Purine deoxyribonucleoside 3',5'-bisphosphates
Alternative Parents
Polysaccharide phosphates Pyrimidine deoxyribonucleoside 3',5'-bisphosphates Purine 2'-deoxyribonucleosides Ribonucleoside 3'-phosphates Hypoxanthines 6-oxopurines 6-aminopurines Aminopyrimidines and derivatives Dialkyl phosphates Thiophosphate diesters Pyrimidones Hydropyrimidines N-substituted imidazoles Imidolactams Heteroaromatic compounds Vinylogous amides Oxolanes Ureas Lactams Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polysaccharide phosphate - Polysaccharide - Purine deoxyribonucleoside 3',5'-bisphosphate - Pyrimidine deoxyribonucleoside bisphosphate - Pyrimidine deoxyribonucleoside 3',5'-bisphosphate - Purine 2'-deoxyribonucleoside - Purine nucleoside - Ribonucleoside 3'-phosphate - 6-aminopurine - 6-oxopurine - Hypoxanthine - Purine - Imidazopyrimidine - Dialkyl phosphate - Pyrimidone - Aminopyrimidine - Thiophosphate diester - Hydropyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Thiophosphoric acid ester - Phosphoric acid ester - Imidolactam - Organic thiophosphoric acid or derivatives - Alkyl phosphate - Pyrimidine - Oxolane - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Secondary alcohol - Urea - Lactam - Azacycle - Oxacycle - Organoheterocyclic compound - Primary alcohol - Organic oxygen compound - Alcohol - Primary amine - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purine deoxyribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to each of two different hydroxyl groups of the ribose moiety, which lacks a hydroxyl group at position 2.
External Descriptors
Not available