Compound Identification
SMILES
CC1C(C)C(OC1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(CC1=O)SCCC(=O)NCCCCCC(=O)CC(OP(O)(=O)OCC1OC(CC1O)N1C=C(Br)C(=O)NC1=O)=C=C=C=C=C=C=C=C=C=C=C
InChIKey
InChIKey=JIHSYMLKRWKDMT-UHFFFAOYSA-N
Formula
C43H51BrN4O22P4S
Mass
1211.75
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
Monoalkyl phosphates Pyrimidones Tetrahydropyridines Halopyrimidines Hydropyrimidines Aryl bromides Oxolanes Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Ureas Amino acids and derivatives Ketones Lactams Tertiary amines Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine 2'-deoxyribonucleoside monophosphate - Halopyrimidine - Pyrimidone - Tetrahydropyridine - Monoalkyl phosphate - Aryl bromide - Aryl halide - Hydropyridine - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Oxolane - Vinylogous amide - Tertiary carboxylic acid amide - Lactam - Ketone - Amino acid or derivatives - Carboxamide group - Urea - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Dialkylthioether - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organohalogen compound - Alcohol - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic 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