2-chloroadenosine-5-triphosphate (Q27071884)

2-Chloro-ATP (English)

3 October 2016

chemical formula

C₁₀H₁₅ClN₅O₁₃P₃

1 reference

2-Chloro-ATP (English)

3 October 2016

canonical SMILES

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(N=C2N)Cl

1 reference

2-Chloro-ATP (English)

3 October 2016

isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(N=C2N)Cl

1 reference

2-Chloro-ATP (English)

InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1

3 October 2016

Identifiers

InChI

1 reference

2-Chloro-ATP (English)

RNGCVFCOKZEZFL-UUOKFMHZSA-N

3 October 2016

InChIKey

1 reference

2-Chloro-ATP (English)

3 October 2016

0 references

1 reference

2-Chloroadenosine 5'-(tetrahydrogen triphosphate) (English)

3 October 2016

1 reference

2-Chloro-ATP (English)

3 October 2016

1 reference

DSSTOX compound identifier

CHEMBL1368696 (English)

3 October 2016

1 reference

0 references

DTXCID301391974

0 references

Guide to Pharmacology Ligand ID

1716

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1716

2-chloroadenosine-5-triphosphate (English)