The Biofilms Structural Database |
Autoinducer-2 Analogue |
|
---|---|
4YRZ |
|
Code
A2B | |
Name |
L-xylulofuranose-1,2-borate |
Molecular Weight |
192.94 |
Isomeric SMILES |
OC[C@]12OC[C@H](O)[C@H]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 |