2-O-sulfo-2'-O-hexadecanoyl-alpha,alpha-trehalose

Properties Image MNX_ID MNXM82193 reference chebi:60092 formula C28H51O15S global charge -1 mol weight 659.768 InChIKey AKFSXZFFUZRYPP-FJUFGMPQSA-M InChI InChI=1S/C28H52O15S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(31)41-25-23(34)21(32)18(16-29)39-27(25)42-28-26(43-44(36,37)38)24(35)22(33)19(17-30)40-28/h18-19,21-30,32-35H,2-17H2,1H3,(H,36,37,38)/p-1/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)[O-])O[C@H](CO)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C28H52O15S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(31)41-25-23(34)21(32)18(16-29)39-27(25)42-28-26(43-44(36,37)38)24(35)22(33)19(17-30)40-28/h18-19,21-30,32-35H,2-17H2,1H3,(H,36,37,38)/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:20](=[O:31])[O:41][C@@H:25]1[C@@H:23]([OH:34])[C@H:21]([OH:32])[C@@H:18]([CH2:16][OH:29])[O:39][C@@H:27]1[O:42][C@@H:28]1[C@H:26]([O:43][S:44]([OH:36])(=[O:37])=[O:38])[C@@H:24]([OH:35])[C@H:22]([OH:33])[C@@H:19]([CH2:17][OH:30])[O:40]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 1