The Biofilms Structural Database |
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[C@]12OC[C@H](O)[C@@]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 |