The Biofilms Structural Database

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Autoinducer-2 Analogue

4YRZ

Code

A2B

Name

L-xylulofuranose-1,2-borate

Molecular Weight

192.94

Isomeric SMILES

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

Formula

C5H10BO7

Identifiers

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

Formal Charge

-1

InChI

InChI=1S/C5H10BO7/c7-2-5-4(3(8)1-11-5)12-6(9,10)13-5/h3-4,7-10H,1-2H2/q-1/t3-,4+,5+/m0/s1

Atom Count

23

InChIKey

HLBKGCVZIOGTKY-VPENINKCSA-N

PDB codes

4YRZ

Type

Non-polymer

Chiral Atom Count

3

Chiral Atoms

C4, C7, C8

Bond Count

24

Aromatic Bond Count

0

Leaving Atoms

n/a