EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45963 - P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE

Default Structure
ChEBI IDCHEBI:45963
ChEBI NameP1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE
Stars
DownloadsMolfile
FormulaC20H30N7O23P5
Net Charge0
Average Mass891.356
Monoisotopic Mass891.00811
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])c(C([H])([H])[H])c(=O)n([H])c2=O)C([H])([H])[C@]1([H])O[H]
InChIInChI=1S/C20H30N7O23P5/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(45-12)4-43-51(33,34)47-53(37,38)49-55(41,42)50-54(39,40)48-52(35,36)44-5-11-14(29)15(30)19(46-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1
InChIKeyJCFDSPQTEMXXLO-SLFMBYJQSA-N
ChEBI Ontology
Outgoing Relation(s)
P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE (CHEBI:45963) is a unclassifieds (CHEBI:27189)
Synonym  Source
P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATEPDBeChem
Manual XrefsDatabases
T5APDBeChem