The Biofilms Structural Database
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The Biofilms Structural Database |
2-Naphtyl-1-thio-beta-D-galactopyranoside |
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|---|---|
4A6S |
|
Code
GS9 | |
|
Name |
NAPHTHALEN-2-YL 1-THIO-BETA-D-GALACTOPYRANOSIDE |
|
Molecular Weight |
322.38 |
|
Isomeric SMILES |
OC[C@H]1O[C@@H](Sc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O |
|
Formula |
C16H18O5S |
|
Identifiers |
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-ylsulfanyl-oxane-3,4,5-triol |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C16H18O5S/c17-8-12-13(18)14(19)15(20)16(21-12)22-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13+,14+,15-,16+/m1/s1 |
|
Atom Count |
40 |
|
InChIKey |
UTPJJZURVZIAID-CWVYHPPDSA-N |
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PDB codes |
4A6S |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
5 |
|
Chiral Atoms |
C1, C2, C3, C4, C5 |
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Bond Count |
42 |
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Aromatic Bond Count |
11 |
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Leaving Atoms |
n/a |