2-O-hexadecanoyl-alpha,alpha-trehalose

Properties Image MNX_ID MNXM146066 reference chebi:84041 formula C28H52O12 global charge 0 mol weight 580.712 InChIKey GLYYYZAOVVFGDK-FJUFGMPQSA-N InChI InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(31)39-26-24(35)22(33)19(17-30)38-28(26)40-27-25(36)23(34)21(32)18(16-29)37-27/h18-19,21-30,32-36H,2-17H2,1H3/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]2O)O[C@H](CO)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(31)39-26-24(35)22(33)19(17-30)38-28(26)40-27-25(36)23(34)21(32)18(16-29)37-27/h18-19,21-30,32-36H,2-17H2,1H3/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:39][C@@H:26]1[C@@H:24]([OH:35])[C@H:22]([OH:33])[C@@H:19]([CH2:17][OH:30])[O:38][C@@H:28]1[O:40][C@@H:27]1[C@H:25]([OH:36])[C@@H:23]([OH:34])[C@H:21]([OH:32])[C@@H:18]([CH2:16][OH:29])[O:37]1

Parent-child relations graph

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