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CHEBI:140294 - 5'-triphosphoadenylyl-(2'→5')-adenosine(5−)

ChEBI IDCHEBI:140294
ChEBI Name5'-triphosphoadenylyl-(2'→5')-adenosine(5−)
Stars
ASCII Name5'-triphosphoadenylyl-(2'->5')-adenosine(5-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate and triphosphate OH groups of 5'-triphosphoadenylyl-(2'→5')-adenosine. Major microspecies at pH 7.3.
Last Modified2 March 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H23N10O19P4
Net Charge-5
Average Mass831.351
Monoisotopic Mass831.01188
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])O[C@@H]2[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-51(37,38)47-14-12(32)8(2-44-52(39,40)49-53(41,42)48-50(34,35)36)46-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/p-5/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyYHHSPPDBQDMAPZ-XPWFQUROSA-I
ChEBI Ontology
Outgoing Relation(s)
5'-triphosphoadenylyl-(2'→5')-adenosine(5−) (CHEBI:140294) is a organophosphate oxoanion (CHEBI:58945)
5'-triphosphoadenylyl-(2'→5')-adenosine(5−) (CHEBI:140294) is conjugate base of 5'-triphosphoadenylyl-(2'→5')-adenosine (CHEBI:140314)
Incoming Relation(s)
5'-triphosphoadenylyl-(2'→5')-adenosine (CHEBI:140314) is conjugate acid of 5'-triphosphoadenylyl-(2'→5')-adenosine(5−) (CHEBI:140294)
Synonym  Source
pppA2'p5'A(5−)SUBMITTER
UniProt Name  Source
5'-triphosphoadenylyl-(2'→5')-adenosineUniProt
Citations