2-Cl-ADP(α-BH3) (Q27071886)

2-Cl-ADP(alpha-BH3) (English)

3 October 2016

chemical formula

C₁₀H₁₃BClN₅O₉P₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

[B-]P(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)Cl)O)O)OP(=O)(O)O

1 reference

2-Cl-ADP(alpha-BH3) (English)

3 October 2016

isomeric SMILES

[B-][P@@](=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3N)Cl)O)O)OP(=O)(O)O

1 reference

2-Cl-ADP(alpha-BH3) (English)

InChI=1S/C10H13BClN5O9P2/c11-27(20,26-28(21,22)23)24-1-3-5(18)6(19)9(25-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,(H2,13,15,16)(H2,21,22,23)/q-1/t3-,5-,6-,9-,27-/m1/s1

3 October 2016

Identifiers

InChI

1 reference

2-Cl-ADP(alpha-BH3) (English)

XLTJNJOUVKOQCW-MWZJDIDNSA-N

3 October 2016

InChIKey

1 reference

2-Cl-ADP(alpha-BH3) (English)

3 October 2016

1 reference

Guide to Pharmacology Ligand ID

2-Cl-ADP(alpha-BH3) (English)

3 October 2016

1 reference

8447

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8447

2-Cl-ADP(α-BH3) (English)