3'anthraniloyl-2'-deoxy-adenosine-5'-triphosphate (Q27459674)

130996-25-7 (English)

19 October 2016

chemical formula

C₁₇H₂₁N₆O₁₃P₃

1 reference

130996-25-7 (English)

19 October 2016

canonical SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(=O)C4=CC=CC=C4N

1 reference

130996-25-7 (English)

19 October 2016

isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(=O)C4=CC=CC=C4N

1 reference

130996-25-7 (English)

InChI=1S/C17H21N6O13P3/c18-10-4-2-1-3-9(10)17(24)34-11-5-13(23-8-22-14-15(19)20-7-21-16(14)23)33-12(11)6-32-38(28,29)36-39(30,31)35-37(25,26)27/h1-4,7-8,11-13H,5-6,18H2,(H,28,29)(H,30,31)(H2,19,20,21)(H2,25,26,27)/t11-,12+,13+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

130996-25-7 (English)

FIWKNPONGIOEHC-YNEHKIRRSA-N

19 October 2016

InChIKey

1 reference

130996-25-7 (English)

19 October 2016

0 references

1 reference

3'-O-(2-Aminobenzoyl)-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) (English)

19 October 2016

2 references

130996-25-7 (English)

matched by identifier from

19 October 2016

InChIKey

FIWKNPONGIOEHC-YNEHKIRRSA-N

1 reference

1 reference

matched by identifier from

InChIKey

FIWKNPONGIOEHC-YNEHKIRRSA-N

DSSTOX compound identifier

0 references

0 references

1 reference

1LVC (English)