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P(1),P(3)-bis(5'-adenosyl) triphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3683

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

formula

C₂₀H₂₄N₁₀O₁₆P₃

charge

-3

mass

753.06011

reference

chebi:58529

InChIKey

QCICUPZZLIQAPA-XPWFQUROSA-K

InChI

InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)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)(H,39,40)(H2,21,23,25)(H2,22,24,26)/p-3/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

SMILES

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=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:58529 chebi:58529	P(1),P(3)-bis(5'-adenosyl) triphosphate P(1),P(3)-bis(5'-adenosyl) triphosphate(4-)
seed.compound:cpd03705 seedM:cpd03705	ApppA 5',5'''-diadenosine triphosphate 5'Ap3A Adenosine 5'-triphosphate 5'-adenosine Ap3A P1,P3-Bis(5'-adenosyl) triphosphate P1,P3-bis(5'-adenosyl)triphosphate adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine adenosine(5')triphospho(5')adenosine bis(5'-adenosyl) triphosphate
CHEBI:27775 chebi:27775	P(1),P(3)-bis(5'-adenosyl) triphosphate 5'Ap3A A(5')p3(5')A Adenosine 5'-triphosphate 5'-adenosine Adenosine(3)triphosphate adenosine Ap3A ApppA Diadenosine triphosphate P(1),P(3)-bis(5'-adenosyl) trihydrogen triphosphate P1,P3-Bis(5'-adenosyl) triphosphate adenosine(5')triphospho(5')adenosine
bigg.metabolite:apppa biggM:apppa	P1,P3-Bis(5'-adenosyl) triphosphate
kegg.compound:C06197 keggC:C06197	P1,P3-Bis(5'-adenosyl) triphosphate Adenosine 5'-triphosphate 5'-adenosine ApppA
sabiork.compound:1859 sabiorkM:1859	P1,P3-Bis(5'-adenosyl) triphosphate ApppA
metacyc.compound:ADENOSINE5TRIPHOSPHO5ADENOSINE metacycM:ADENOSINE5TRIPHOSPHO5ADENOSINE	P1,P3-bis(5'-adenosyl) triphosphate 5',5'''-diadenosine triphosphate 5'Ap3A Ap3A adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine adenosine(5')triphospho(5')adenosine bis(5'-adenosyl) triphosphate
chebi:12728 chebi:21997 chebi:7874 biggM:M_apppa keggC:M_C06197 seedM:M_cpd03705	secondary/obsolete/fantasy identifier