EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47191 - diadenosine 5',5'-diphosphate

ChEBI IDCHEBI:47191
ChEBI Namediadenosine 5',5'-diphosphate
Stars
DefinitionA diadenosyl diphosphate having two 5'-adenosyl residues attached at the P1- and P2-positions of the diphosphate.
Last Modified13 April 2012
DownloadsMolfile
FormulaC20H26N10O13P2
Net Charge0
Average Mass676.433
Monoisotopic Mass676.11560
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(41-19)1-39-44(35,36)43-45(37,38)40-2-8-12(32)14(34)20(42-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyAKDJDUXNKGWGAZ-XPWFQUROSA-N
ChEBI Ontology
Outgoing Relation(s)
diadenosine 5',5'-diphosphate (CHEBI:47191) is a diadenosyl diphosphate (CHEBI:64369)
diadenosine 5',5'-diphosphate (CHEBI:47191) is conjugate acid of P1,P2-bis(5'-adenosyl) diphosphate(2−) (CHEBI:143965)
Incoming Relation(s)
P1,P2-bis(5'-adenosyl) diphosphate(2−) (CHEBI:143965) is conjugate base of diadenosine 5',5'-diphosphate (CHEBI:47191)
IUPAC Name 
bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate
Synonyms  Source
BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATEPDBeChem
APPAIUPHAR
adenosine(5')diphospho(5')adenosineChEBI
diadenosine-5',5'-pyrophosphateChemIDplus
AppAChemIDplus
diadenosine pyrophosphateChemIDplus
Manual XrefsDatabases
A2DPDBeChem
Registry NumbersSources
Reaxys:77468Reaxys