The Biofilms Structural Database
|
|
The Biofilms Structural Database |
Autoinducer-2 Analogue |
|
|---|---|
4YP9 |
|
Code
A1B | |
|
Name |
1-deoxy-alpha-L-xylulofuranose-1,2-borate |
|
Molecular Weight |
176.94 |
|
Isomeric SMILES |
C[C@]12OC[C@H](O)[C@H]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 |