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CHEBI:91123 - 5-bromo-4-chloro-3-indolyl thymidine 3'-phosphate

ChEBI IDCHEBI:91123
ChEBI Name5-bromo-4-chloro-3-indolyl thymidine 3'-phosphate
Stars
DefinitionA pyrimidine 2'-deoxyribonucleoside 3'-monophosphate that is the mono-(5-bromo-4-chloro-indol-3-yl) ester of thymidine 3'-phosphate.
Last Modified8 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC18H18BrClN3O8P
Net Charge0
Average Mass550.686
Monoisotopic Mass548.97034
SMILESCc1cn([C@H]2C[C@H](OP(=O)(O)Oc3cnc4ccc(Br)c(Cl)c34)[C@@H](CO)O2)c(=O)nc1=O
InChIInChI=1S/C18H18BrClN3O8P/c1-8-6-23(18(26)22-17(8)25)14-4-11(13(7-24)29-14)30-32(27,28)31-12-5-21-10-3-2-9(19)16(20)15(10)12/h2-3,5-6,11,13-14,21,24H,4,7H2,1H3,(H,27,28)(H,22,25,26)/t11-,13+,14+/m0/s1
InChIKeyUXBYDQPRYZBTRV-IACUBPJLSA-N
Roles Classification
Application:
chromogenic compound  Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
ChEBI Ontology
Outgoing Relation(s)
5-bromo-4-chloro-3-indolyl thymidine 3'-phosphate (CHEBI:91123) has functional parent thymidine 3'-monophosphate (CHEBI:55552)
5-bromo-4-chloro-3-indolyl thymidine 3'-phosphate (CHEBI:91123) has role chromogenic compound (CHEBI:75050)
5-bromo-4-chloro-3-indolyl thymidine 3'-phosphate (CHEBI:91123) is a bromoindole (CHEBI:52514)
5-bromo-4-chloro-3-indolyl thymidine 3'-phosphate (CHEBI:91123) is a chloroindole (CHEBI:52508)
5-bromo-4-chloro-3-indolyl thymidine 3'-phosphate (CHEBI:91123) is a pyrimidine 2'-deoxyribonucleoside 3'-monophosphate (CHEBI:36994)
IUPAC Name 
3'-O-{[(5-bromo-4-chloro-1H-indol-3-yl)oxy](hydroxy)phosphoryl}thymidine
Synonyms  Source
3'-thymidylic acid mono-(5-bromo-4-chloro-indol-3-yl) esterChEBI
5-bromo-4-chloro-3-indolyl 3'-thymidylateChEBI
Registry NumbersSources
Reaxys:734510Reaxys