P(1),P(3)-bis(5'-adenosyl) triphosphate(4-) (Q27125849)

adenosine(5')triphospho(5')adenosine (English)

6 October 2016

isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O

1 reference

adenosine(5')triphospho(5')adenosine (English)

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

6 October 2016

Identifiers

InChI

1 reference

adenosine(5')triphospho(5')adenosine (English)

QCICUPZZLIQAPA-XPWFQUROSA-K

6 October 2016

InChIKey

2 references

adenosine(5')triphospho(5')adenosine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

bis[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate (English)

6 October 2016

1 reference

adenosine(5')triphospho(5')adenosine (English)

6 October 2016

Reaxys registry number

9110836

1 reference

P(1),P(3)-bis(5'-adenosyl) triphosphate(4-) (English)

6 October 2016

ChEBI ID

58529

mapping relation type

1 reference