Molecule ID: 134160267

IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-hydroxypent-4-enimidothioate

Description: The molecule is a desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxypent-4-enethioamide with beta-D-glucopyranose. It has a role as an Arabidopsis thaliana metabolite.

SMILES: C=CCCC(=NO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [C][=C][C][C][C][=Branch1][Ring1][=N][O][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C11H19NO6S/c1-2-3-4-7(12-17)19-11-10(16)9(15)8(14)6(5-13)18-11/h2,6,8-11,13-17H,1,3-5H2/t6-,8-,9+,10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 148.0 Ų
- LogP: -0.2