P(1),P(2)-bis(5'-adenosyl) triphosphate (Q27103178)

P(1),P(2)-bis(5'-adenosyl) trihydrogen triphosphate (English)

5 October 2016

chemical formula

C₂₀H₂₇N₁₀O₁₆P₃

1 reference

P(1),P(2)-bis(5'-adenosyl) trihydrogen triphosphate (English)

5 October 2016

canonical SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)OP(=O)(O)O)O)O

1 reference

P(1),P(2)-bis(5'-adenosyl) trihydrogen triphosphate (English)

5 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)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)OP(=O)(O)O)O)O

1 reference

P(1),P(2)-bis(5'-adenosyl) trihydrogen triphosphate (English)

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

5 October 2016

Identifiers

InChI

1 reference

P(1),P(2)-bis(5'-adenosyl) trihydrogen triphosphate (English)

ARWCWVFBZSAGRB-UWWQKWQGSA-N

5 October 2016

InChIKey

2 references

P(1),P(2)-bis(5'-adenosyl) trihydrogen triphosphate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

P(1),P(2)-bis(5'-adenosyl) triphosphate (English)

5 October 2016

1 reference

P(1),P(2)-bis(5'-adenosyl) trihydrogen triphosphate (English)

5 October 2016

ChEBI ID

27529

mapping relation type

2 references

P(1),P(2)-bis(5'-adenosyl) triphosphate (English)