1,6-kestotetraose

Properties Image MNX_ID MNXM13857 reference chebi:64835 formula C24H42O21 global charge 0 mol weight 666.579 InChIKey MMYFQTWHKPSUDE-DLQNOBSRSA-N InChI InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(7-40-23(6-29)19(37)14(32)10(3-27)43-23)20(38)15(33)11(44-24)4-39-22(5-28)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1 SMILES OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@](CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(7-40-23(6-29)19(37)14(32)10(3-27)43-23)20(38)15(33)11(44-24)4-39-22(5-28)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1 SMILES (mnx) [CH2:1]([C@@H:8]1[C@@H:12]([OH:30])[C@H:16]([OH:34])[C@@H:17]([OH:35])[C@@H:21]([O:45][C@@:24]2([CH2:7][O:40][C@@:23]3([CH2:6][OH:29])[C@@H:19]([OH:37])[C@H:14]([OH:32])[C@@H:10]([CH2:3][OH:27])[O:43]3)[C@@H:20]([OH:38])[C@H:15]([OH:33])[C@@H:11]([CH2:4][O:39][C@@:22]3([CH2:5][OH:28])[C@@H:18]([OH:36])[C@H:13]([OH:31])[C@@H:9]([CH2:2][OH:26])[O:42]3)[O:44]2)[O:41]1)[OH:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0