[35S]ATPαS   

GtoPdb Ligand ID: 3407

   
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 323.58
Molecular weight 522.97
XLogP -3.58
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES OC1C(COP(=S)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N
Isomeric SMILES OC1C(COP(=[35S])(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N
InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/i31+3
InChI Key ROYJKVPBJVNHCQ-KUIAXLJASA-N
Classification
Compound class Metabolite or derivative
Database Links
GtoPdb PubChem SID 178100414
Search Google for chemical match using the InChIKey ROYJKVPBJVNHCQ-KUIAXLJASA-N
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Search UniChem for chemical match using the InChIKey ROYJKVPBJVNHCQ-KUIAXLJASA-N
Search UniChem for chemicals with the same backbone ROYJKVPBJVNHCQ