The Biofilms Structural Database |
6-fluoroanthraniloyl-AMP |
|
---|---|
5OE6 |
|
Code
9SN | |
Name |
6-fluoroanthraniloyl-AMP |
Molecular Weight |
484.33 |
Isomeric SMILES |
Nc1cccc(F)c1C(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |
Formula |
C17H18FN6O8P |
Identifiers |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-azanyl-6-fluoranyl-benzoate |
Formal Charge |
0 |
InChI |
InChI=1S/C17H18FN6O8P/c18-7-2-1-3-8(19)10(7)17(27)32-33(28,29)30-4-9-12(25)13(26)16(31-9)24-6-23-11-14(20)21-5-22-15(11)24/h1-3,5-6,9,12-13,16,25-26H,4,19H2,(H,28,29)(H2,20,21,22)/t9-,12-,13-,16-/m1/s1 |
Atom Count |
51 |
InChIKey |
IWRUVECWXLGDCT-RVXWVPLUSA-N |
PDB codes |
5OE6 |
Type |
NON-POLYMER |
Chiral Atom Count |
4 |
Chiral Atoms |
C16, C18, C7, C9 |
Bond Count |
54 |
Aromatic Bond Count |
16 |
Leaving Atoms |
n/a |