Compound Identification
SMILES
NC1=CC=C(CC2=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]3F)C(=O)N=C2N)C=C1
InChIKey
InChIKey=DLLIBWQLJATCOV-QVHKTLOISA-N
Formula
C16H21FN4O10P2
Mass
510.308
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 Aniline and substituted anilines Pyrimidones Aminopyrimidines and derivatives Monoalkyl phosphates Hydropyrimidines Imidolactams Oxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Primary amines Alkyl fluorides Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine deoxyribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Monoalkyl phosphate - Monocyclic benzene moiety - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Benzenoid - Imidolactam - Heteroaromatic compound - Oxolane - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Amine - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Primary amine - Organic oxygen compound - 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