The Biofilms Structural Database

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Autoinducer-2

1JX6

Code

AI2

Name

3A-methyl-5,6-dihydro-furo[2,3-D][1,3,2]dioxaborole-2,2,6,6A-tetraol

Molecular Weight

192.94

Isomeric SMILES

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

Formula

C5H10BO7

Identifiers

(1S,4S,5R)-7,7-dihydroxy-1-methyl-2,6,8-trioxa-7-boranuidabicyclo[3.3.0]octane-4,5-diol

Formal Charge

-1

InChI

InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1

Atom Count

23

InChIKey

ACKRRKSNOOISSG-VPENINKCSA-N

PDB codes

1JX6, 2HJ9

Type

Non-polymer

Chiral Atom Count

3

Chiral Atoms

C4, C7, C8

Bond Count

24

Aromatic Bond Count

0

Leaving Atoms

n/a