Molecule Info: Methylthio-adenosine diphosphate
Smiles:
CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@@](=O)(OP(=O)([O-])[O-])[O-]
Netcharge:
-3
InChIKey:
WLMZTKAZJUWXCB-AJVVJOBJNA-K
InChI:
1/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/p-3/t4-,6-,7-,10-/m1/s1/fC11H14N5O10P2S/h12H2/q-3
InChIcol:
1
More information (from its Standard Form):
Methylthio-adenosine diphosphate
Complex structures in which this molecule appears :
Complex Structure ID: 76
References in which this molecule is mentioned:
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.
Image of the Specific State
