Compound Identification
SMILES
CC1=CC=CC2=C1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OC(=O)CN)N1C=C(\C=C\Br)C(=O)NC1=O)OC2
InChIKey
InChIKey=VWWLOLQSFBDSLT-MAJGBPMISA-N
Formula
C21H23BrN3O9P
Mass
572.305
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 monophosphates
Direct Parent
Pyrimidine 2'-deoxyribonucleoside monophosphates
Alternative Parents
Alpha amino acid esters Pyrimidones Benzenoids Phosphate esters Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Carboxylic acid esters Lactams Vinyl bromides Oxacyclic compounds Azacyclic compounds Bromoalkenes Monocarboxylic acids and derivatives Organobromides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine 2'-deoxyribonucleoside monophosphate - Alpha-amino acid ester - Alpha-amino acid or derivatives - Pyrimidone - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Pyrimidine - Heteroaromatic compound - Oxolane - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Lactam - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Organohalogen compound - Organic oxide - Primary aliphatic amine - Amine - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
External Descriptors
Not available