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P(1),P(2)-bis(5'-adenosyl) diphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM50303

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₀H₂₄N₁₀O₁₃P₂

charge

-2

mass

674.10105

reference

chebi:143965

InChIKey

AKDJDUXNKGWGAZ-XPWFQUROSA-L

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)/p-2/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

SMILES

Nc1ncnc2c1ncn2[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:143965 chebi:143965	P(1),P(2)-bis(5'-adenosyl) diphosphate AppA P(1),P(2)-bis(5'-adenosyl) diphosphate(2-)
seed.compound:cpd33661 seedM:cpd33661	Ap2A adenosine-5'-diphospho-5'-adenosine bis(5'-adenosyl) diphosphate diadenosine 5',5'''-P1,P2-diphosphate diadenosine 5',5'''-diphosphate diadenosine 5',5'-diphosphate diadenosine pyrophosphate
metacyc.compound:CPD-19513 metacycM:CPD-19513	bis(5'-adenosyl) diphosphate Ap2A adenosine-5'-diphospho-5'-adenosine diadenosine 5',5'''-P1,P2-diphosphate diadenosine 5',5'''-diphosphate diadenosine 5',5'-diphosphate diadenosine pyrophosphate
CHEBI:47191 chebi:47191	diadenosine 5',5'-diphosphate 1-P,2-P-bis(adenosin-5'-yl)diphosphate APPA AppA BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE P(1),P(2)-di(adenosine 5'-)diphosphate P(1),P(2)-diadenosine-5'-pyrophosphate adenosine(5')diphospho(5')adenosine adenosine-5'-diphospho-5'-adenosine bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate diadenosine pyrophosphate diadenosine-5',5'-pyrophosphate
seedM:M_cpd33661	secondary/obsolete/fantasy identifier