The Biofilms Structural Database |
KRI |
|
---|---|
1YCL |
|
Code
KRI | |
Name |
(S)-2-Amino-4-[(2S,3R)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid |
Molecular Weight |
267.3 |
Isomeric SMILES |
N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)CO)C(O)=O |
Formula |
C9H17NO6S |
Identifiers |
(2S)-2-amino-4-[(2S,3R)-2,3,5-trihydroxy-4-oxo-pentyl]sulfanyl-butanoic acid |
Formal Charge |
0 |
InChI |
InChI=1S/C9H17NO6S/c10-5(9(15)16)1-2-17-4-7(13)8(14)6(12)3-11/h5,7-8,11,13-14H,1-4,10H2,(H,15,16)/t5-,7+,8-/m0/s1 |
Atom Count |
34 |
InChIKey |
QFXXRJSDEMCBPH-ARDNSNSESA-N |
PDB codes |
1YCL |
Type |
Non-polymer |
Chiral Atom Count |
3 |
Chiral Atoms |
C3, C4, CA |
Bond Count |
33 |
Aromatic Bond Count |
0 |
Leaving Atoms |
n/a |