(Z)-3-hydroxypropyl glucosinolate

Properties Image MNX_ID MNXM8117 reference chebi:183090 formula C10H18NO10S2 global charge -1 mol weight 376.385 InChIKey WIGYSAIZPJAWDF-GLVDENFASA-M InChI InChI=1S/C10H19NO10S2/c12-3-1-2-6(11-21-23(17,18)19)22-10-9(16)8(15)7(14)5(4-13)20-10/h5,7-10,12-16H,1-4H2,(H,17,18,19)/p-1/b11-6-/t5-,7-,8+,9-,10+/m1/s1 SMILES O=S(=O)([O-])O/N=C(/CCCO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C10H19NO10S2/c12-3-1-2-6(11-21-23(17,18)19)22-10-9(16)8(15)7(14)5(4-13)20-10/h5,7-10,12-16H,1-4H2,(H,17,18,19)/b11-6-/t5-,7-,8+,9-,10+/m1/s1 SMILES (mnx) [CH2:1]([CH2:2]/[C:6](=[N:11]/[O:21][S:23]([OH:17])(=[O:18])=[O:19])[S:22][C@H:10]1[C@H:9]([OH:16])[C@@H:8]([OH:15])[C@H:7]([OH:14])[C@@H:5]([CH2:4][OH:13])[O:20]1)[CH2:3][OH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0