The Biofilms Structural Database
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KRI

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