The Biofilms Structural Database
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anthraniloyl-AMP

5OE4

Code

3UK

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