Compound Identification
SMILES
CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C1CC(OP(=O)(OCC2OC(CC2OP(=O)(OCCC#N)OC2=CC=C(Cl)C=C2)N2C=C(C)C(=O)NC2=O)OC2=CC=C(Cl)C=C2)C(CO)O1
InChIKey
InChIKey=LZKPMFUJTWJVFX-UHFFFAOYSA-N
Formula
C39H42Cl2N8O15P2
Mass
995.65
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleotides
Subclass
Pyrimidine deoxyribonucleotides
Intermediate Tree Nodes
Pyrimidine deoxyribonucleoside bisphosphates
Direct Parent
Pyrimidine deoxyribonucleoside 3',5'-bisphosphates
Alternative Parents
Ribonucleoside 3'-phosphates 6-oxopurines Hypoxanthines Phenoxy compounds N-arylamides Chlorobenzenes Pyrimidones Dialkyl phosphates Aryl chlorides Hydropyrimidines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Oxolanes Lactams Ureas Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine deoxyribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Phenoxy compound - N-arylamide - Chlorobenzene - Halobenzene - Pyrimidone - Dialkyl phosphate - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Benzenoid - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Oxolane - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Primary alcohol - Organochloride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidine deoxyribonucleoside 3',5'-bisphosphates. These are pyrimidine 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