13-(beta-D-glucosyloxy)docosanoate

Properties Image MNX_ID MNXM3788 reference chebi:36487 formula C28H53O8 global charge -1 mol weight 517.724 InChIKey MVSYTBQOJXSHFZ-SFOFOFCKSA-M InChI InChI=1S/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/p-1/t22?,23-,25-,26+,27-,28-/m1/s1 SMILES CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/t22?,23-,25-,26+,27-,28-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:9][CH2:12][CH2:15][CH2:18][CH:22]([CH2:19][CH2:16][CH2:13][CH2:10][CH2:7][CH2:6][CH2:8][CH2:11][CH2:14][CH2:17][CH2:20][C:24](=[O:30])[OH:31])[O:35][C@H:28]1[C@H:27]([OH:34])[C@@H:26]([OH:33])[C@H:25]([OH:32])[C@@H:23]([CH2:21][OH:29])[O:36]1

Parent-child relations graph

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