P1,P6-bis(5'-adenosyl) hexaphosphate

P<sup>1</sup>,P<sup>6</sup>-<i>bis</i>(5'-adenosyl) hexaphosphate




Chemical Formula:
C20H24N10O25P6
Molecular Weight:
990.304 Daltons
Monoisotopic Mass:
995.9809256275 Daltons
SMILES:
C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(OCC6(C(C(C(N5(C4(=C(C(=NC=N4)N)N=C5)))O6)O)O))(=O)[O-]
InChI:
1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)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)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)/p-6/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey:
PZCFFCOJNXGTIM-XPWFQUROSA-H

Synonyms
  • AppppppA
  • adenosine(5')hexaphospho(5')adenosine
  • P1-P6-bis(5'-adenosyl) hexaphosphate
  • P(1),P(6)-di(adenosine-5'-)hexaphosphate
  • Ap6A
  • bis(5'-adenosyl) hexaphosphate
  • 5',5'''-diadenosine hexaphosphate

Databases
MetaCyc:  CPD-11932
ChEBI:  63740
PubChem (CID):  56928007
Reactome:  6810468
Seed:  cpd21423
HMDB:  HMDB01282
MetaNetX:  MNXM2551
KEGG:  C20190