Compound Identification
SMILES
CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC1=CN([C@H]2C[C@H](OP([O-])(=O)OC[C@H]3O[C@H](C[C@@H]3OP([O-])(=O)OC[C@H](CN3C=NC4=C3N=C(N)NC4=O)OP([O-])(=O)OC[C@H](CN3C=NC4=C3N=C(N)NC4=O)OP([O-])(=O)OC[C@H](CN3C=NC4=C3N=C(N)NC4=O)OP([O-])(=O)OC[C@@H](O)CN3C=NC4=C3N=C(N)NC4=O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](COCC3=CC(OCC4=CC=CC=C4)=C(OCC4=CC=CC=C4)C=C3)O2)C(=O)NC1=O
InChIKey
InChIKey=ZIUATVDRVOUBAC-KXXCIZKASA-N
Formula
C103H159N32O33P5
Mass
2528.465
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Nucleosides, nucleotides, and analogues
- Class Purine nucleotides
-
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
Ribonucleoside 3'-phosphates Hypoxanthines 6-oxopurines Benzylethers Phenoxy compounds Phenol ethers Dialkyl phosphates Aminopyrimidines and derivatives Alkyl aryl ethers Pyrimidones Hydropyrimidines N-substituted imidazoles Quaternary ammonium salts Vinylogous amides Heteroaromatic compounds Oxolanes Secondary alcohols Lactams Trialkylamines Ureas Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Primary amines
Molecular Framework
Not available
Substituents
Purine deoxyribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - 6-oxopurine - Hypoxanthine - Benzylether - Imidazopyrimidine - Purine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Dialkyl phosphate - Monocyclic benzene moiety - Hydropyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Benzenoid - Alkyl phosphate - Quaternary ammonium salt - Azole - Imidazole - Oxolane - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Urea - Lactam - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Azacycle - Primary amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Alcohol - Amine - Organonitrogen compound - 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