5-(methylsulfanyl)pentyl-desulfoglucosinolate

Properties Image MNX_ID MNXM10336 reference metacycM:CPDQT-285 formula C13H25NO6S2 global charge 0 mol weight 355.478 InChIKey HKIBRYCZLMJRFT-CBEPRAPJSA-N InChI InChI=1S/C13H25NO6S2/c1-21-6-4-2-3-5-9(14-19)22-13-12(18)11(17)10(16)8(7-15)20-13/h8,10-13,15-19H,2-7H2,1H3/b14-9-/t8-,10-,11+,12-,13+/m1/s1 SMILES CSCCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C13H25NO6S2/c1-21-6-4-2-3-5-9(14-19)22-13-12(18)11(17)10(16)8(7-15)20-13/h8,10-13,15-19H,2-7H2,1H3/b14-9-/t8-,10-,11+,12-,13+/m1/s1 SMILES (mnx) [CH3:1][S:21][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5]/[C:9](=[N:14]/[OH:19])[S:22][C@H:13]1[C@H:12]([OH:18])[C@@H:11]([OH:17])[C@H:10]([OH:16])[C@@H:8]([CH2:7][OH:15])[O:20]1

Parent-child relations graph

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