The Biofilms Structural Database
Name
5-(3-amino-4,4-dihyroxy-butylsulfanylmethyl)-tetrahydro-furan-2,3,4-triol
Molecular Weight
267.3
Isomeric SMILES
N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
Formula
C9H17NO6S
Identifiers
(2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Formal Charge
0
InChI
InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1
Atom Count
34
InChIKey
IQFWYNFDWRYSRA-OEQWSMLSSA-N
PDB codes
1JVI
Type
Non-polymer
Chiral Atom Count
5
Chiral Atoms
C1, C2, C3, C4, CA
Bond Count
Aromatic Bond Count
Leaving Atoms
n/a