Compound Identification
SMILES
CC1=CN([C@H]2C[C@@H](OP(O)(O)=O)[C@@H](COP(O)(=O)OC3=CC=C(C=C3)[N+]([O-])=O)O2)C(=O)NC1=O
InChIKey
InChIKey=CXPSPGJSCYJSNO-MGPQQGTHSA-N
Formula
C16H19N3O13P2
Mass
523.284
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 Nitrobenzenes Nitroaromatic compounds Phenoxy compounds Monoalkyl phosphates Pyrimidones Hydropyrimidines Oxolanes Vinylogous amides Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine deoxyribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Pyrimidone - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Monocyclic benzene moiety - Pyrimidine - Hydropyrimidine - Alkyl phosphate - Benzenoid - Oxolane - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic 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