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CHEBI:138171 - pApA(3−)

ChEBI IDCHEBI:138171
ChEBI NamepApA(3−)
Stars
ASCII NamepApA(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phospohate OH groups of pApA. Major microspecies at pH 7.3.
Last Modified25 February 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC20H23N10O13P2
Net Charge-3
Average Mass673.409
Monoisotopic Mass673.09377
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)([O-])[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)11(31)7(41-19)1-40-45(37,38)43-14-8(2-39-44(34,35)36)42-20(13(14)33)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)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/p-3/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyGTUJJVSZIHQLHA-XPWFQUROSA-K
ChEBI Ontology
Outgoing Relation(s)
pApA(3−) (CHEBI:138171) is a organophosphate oxoanion (CHEBI:58945)
pApA(3−) (CHEBI:138171) is conjugate base of pApA (CHEBI:131579)
Incoming Relation(s)
pApA (CHEBI:131579) is conjugate acid of pApA(3−) (CHEBI:138171)
Synonym  Source
5'-O-phosphonoadenylyl-(3'→5')-adenosine(3−)SUBMITTER
UniProt Name  Source
5'-O-phosphonoadenylyl-(3'→5')-adenosineUniProt