EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:78318 - pppGp(2'→5')A(5−)

ChEBI IDCHEBI:78318
ChEBI NamepppGp(2'→5')A(5−)
Stars
ASCII NamepppGp(2'->5')A(5-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate and triphosphate OH groups of pppGp(2'→5')A; major species at pH 7.3.
Last Modified14 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H23N10O20P4
Net Charge-5
Average Mass847.350
Monoisotopic Mass847.00680
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)/p-5/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InChIKeyAAOPLQLDGHSOGE-INFSMZHSSA-I
ChEBI Ontology
Outgoing Relation(s)
pppGp(2'→5')A(5−) (CHEBI:78318) is a organophosphate oxoanion (CHEBI:58945)
UniProt Name  Source
pppGp(2'-5')AUniProt
Manual XrefsDatabases
CPD-16785MetaCyc
Citations