The Biofilms Structural Database |
ATPgS |
|
---|---|
6J7E |
|
Code
AGS | |
Name |
PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER |
Molecular Weight |
523.25 |
Isomeric SMILES |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N |
Formula |
C10H16N5O12P3S |
Identifiers |
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] bis(oxidanyl)phosphinothioyl hydrogen phosphate |
Formal Charge |
0 |
InChI |
InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1 |
Atom Count |
47 |
InChIKey |
NLTUCYMLOPLUHL-KQYNXXCUSA-N |
PDB codes |
6JDL, 6JDI, 6J7E |
Type |
NON-POLYMER |
Chiral Atom Count |
4 |
Chiral Atoms |
n/a |
Bond Count |
49 |
Aromatic Bond Count |
10 |
Leaving Atoms |
n/a |