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

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ChEBI Name diadenosine 5',5'-diphosphate
ChEBI ID CHEBI:47191
Definition A diadenosyl diphosphate having two 5'-adenosyl residues attached at the P1- and P2-positions of the diphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H26N10O13P2
Net Charge 0
Average Mass 676.42756
Monoisotopic Mass 676.11560
InChI InChI=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
InChIKey AKDJDUXNKGWGAZ-XPWFQUROSA-N
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing 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 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 Sources
1-P,2-P-bis(adenosin-5'-yl)diphosphate ChEBI
adenosine(5')diphospho(5')adenosine ChEBI
adenosine-5'-diphospho-5'-adenosine ChEBI
AppA ChemIDplus
APPA IUPHAR
BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE PDBeChem
diadenosine pyrophosphate ChemIDplus
diadenosine-5',5'-pyrophosphate ChemIDplus
P1,P2-di(adenosine 5'-)diphosphate ChemIDplus
P1,P2-diadenosine-5'-pyrophosphate ChemIDplus
Manual Xref Database
A2D PDBeChem
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Registry Numbers Types Sources
77468 Reaxys Registry Number Reaxys
77468 Beilstein Registry Number Beilstein
Last Modified
13 April 2012