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CHEBI:79187 - pppGp(2'→5')A

ChEBI IDCHEBI:79187
ChEBI NamepppGp(2'→5')A
Stars
ASCII NamepppGp(2'->5')A
DefinitionA (2'→5')-dinucleotide made up from guanosine-5'-triphosphate and adenosine-5'-monophosphate residues
Last Modified14 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H28N10O20P4
Net Charge0
Average Mass852.390
Monoisotopic Mass852.04318
SMILESNc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2n1
InChIInChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(46-18)1-44-52(38,39)48-13-11(32)7(2-45-53(40,41)50-54(42,43)49-51(35,36)37)47-19(13)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H2,35,36,37)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InChIKeyAAOPLQLDGHSOGE-INFSMZHSSA-N
ChEBI Ontology
Outgoing Relation(s)
pppGp(2'→5')A (CHEBI:79187) is a (2'→5')-dinucleotide (CHEBI:75800)
pppGp(2'→5')A (CHEBI:79187) is a guanosine bisphosphate (CHEBI:37124)
Manual XrefsDatabases
CPD-16785MetaCyc