The Biofilms Structural Database

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Autoinducer-2 Analogue

4YP9

Code

A1B

Name

1-deoxy-alpha-L-xylulofuranose-1,2-borate

Molecular Weight

176.94

Isomeric SMILES

C[[email protected]]12OC[[email protected]](O)[[email protected]]1O[B-](O)(O)O2

Formula

C5H10BO6

Identifiers

(1R,5S,8S)-5-methyl-3,3-bis(oxidanyl)-2,4,6-trioxa-3-boranuidabicyclo[3.3.0]octan-8-ol

Formal Charge

-1

InChI

InChI=1S/C5H10BO6/c1-5-4(3(7)2-10-5)11-6(8,9)12-5/h3-4,7-9H,2H2,1H3/q-1/t3-,4+,5+/m0/s1

Atom Count

22

InChIKey

GNABZUZRGYHKDZ-VPENINKCSA-N

PDB codes

4YP9, 4YR7

Type

Non-polymer

Chiral Atom Count

3

Chiral Atoms

C4, C7, C8

Bond Count

23

Aromatic Bond Count

0

Leaving Atoms

n/a