cyclobis-(1->3)-alpha-D-isomaltosyl

Properties Image MNX_ID MNXM164692 reference chebi:136822 formula C24H40O20 global charge 0 mol weight 648.564 InChIKey NIFXVRWMHZPIFE-KCLHJWPFSA-N InChI InChI=1S/C24H40O20/c25-1-5-11(29)19-17(35)21(39-5)37-3-7-9(27)14(32)16(34)24(42-7)44-20-12(30)6(2-26)40-22(18(20)36)38-4-8-10(28)13(31)15(33)23(41-8)43-19/h5-36H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-/m1/s1 SMILES OC[C@H]1O[C@@H]2OC[C@H]3O[C@H](O[C@@H]4[C@@H](O)[C@@H](OC[C@H]5O[C@H](O[C@H]([C@H]2O)[C@@H]1O)[C@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O MNX internals InChI (mnx) InChI=1/C24H40O20/c25-1-5-11(29)19-17(35)21(39-5)37-3-7-9(27)14(32)16(34)24(42-7)44-20-12(30)6(2-26)40-22(18(20)36)38-4-8-10(28)13(31)15(33)23(41-8)43-19/h5-36H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:5]1[C@@H:11]([OH:29])[C@H:19]2[C@@H:17]([OH:35])[C@@H:21]([O:37][CH2:3][C@@H:7]3[C@@H:9]([OH:27])[C@H:14]([OH:32])[C@@H:16]([OH:34])[C@H:24]([O:42]3)[O:44][C@H:20]3[C@H:12]([OH:30])[C@@H:6]([CH2:2][OH:26])[O:40][C@@H:22]([C@@H:18]3[OH:36])[O:38][CH2:4][C@@H:8]3[C@@H:10]([OH:28])[C@H:13]([OH:31])[C@@H:15]([OH:33])[C@H:23]([O:41]3)[O:43]2)[O:39]1)[OH:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0