6-(methylsulfinyl)hexyl-glucosinolate

Properties Image MNX_ID MNXM14992 reference metacycM:CPDQT-288 formula C14H26NO10S3 global charge -1 mol weight 464.56 InChIKey OOGAQHVYHLPICD-YFJRXZMFSA-M InChI InChI=1S/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/p-1/b15-10-/t9-,11-,12+,13-,14+,27?/m1/s1 SMILES CS(=O)CCCCCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/b15-10-/t9-,11-,12+,13-,14+,27?/m1/s1 SMILES (mnx) [CH3:1][S:27]([CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6]/[C:10](=[N:15]/[O:25][S:28]([OH:21])(=[O:22])=[O:23])[S:26][C@H:14]1[C@H:13]([OH:19])[C@@H:12]([OH:18])[C@H:11]([OH:17])[C@@H:9]([CH2:8][OH:16])[O:24]1)=[O:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0