The Biofilms Structural Database
Name
5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine
Molecular Weight
466.34
Isomeric SMILES
Nc1ccccc1C(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Formula
C17H19N6O8P
Identifiers
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-azanylbenzoate
Formal Charge
0
InChI
InChI=1S/C17H19N6O8P/c18-9-4-2-1-3-8(9)17(26)31-32(27,28)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5,18H2,(H,27,28)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1
Atom Count
51
InChIKey
XZXXWUQOHYJTTC-XNIJJKJLSA-N
PDB codes
5OE3, 5OE4, 5OE5
Type
NON-POLYMER
Chiral Atom Count
4
Chiral Atoms
C08, C10, C21, C23
Bond Count
54
Aromatic Bond Count
16
Leaving Atoms
n/a