acetylated alginate

Properties Image MNX_ID MNXM10555 reference metacycM:Acetylated-Alginate formula C34H39O33*2 global charge -5 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O[C@@H]3O[C@@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@@H]5O[C@@H](C(=O)[O-])[C@@H](O[*])[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4OC(C)=O)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C36H50O33/c1-5(37)59-19-14(46)35(61-16-8(40)10(42)32(58-4)65-23(16)28(49)50)68-26(31(55)56)21(19)64-34-12(44)9(41)17(24(67-34)29(51)52)63-36-20(60-6(2)38)13(45)18(25(69-36)30(53)54)62-33-11(43)7(39)15(57-3)22(66-33)27(47)48/h7-26,32-36,39-46H,1-4H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)/t7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22-,23-,24-,25+,26+,32-,33-,34-,35-,36-/m1/s1/i3+1,4+1 SMILES (mnx) [CH3:1][C:5](=[O:37])[O:59][C@@H:19]1[C@H:14]([OH:46])[C@H:35]([O:61][C@H:16]2[C@H:8]([OH:40])[C@H:10]([OH:42])[C@H:32]([O:58][13CH3:4])[O:65][C@H:23]2[C:28](=[O:49])[OH:50])[O:68][C@H:26]([C:31](=[O:55])[OH:56])[C@H:21]1[O:64][C@H:34]1[C@@H:12]([OH:44])[C@@H:9]([OH:41])[C@H:17]([O:63][C@H:36]2[C@@H:20]([O:60][C:6]([CH3:2])=[O:38])[C@@H:13]([OH:45])[C@H:18]([O:62][C@H:33]3[C@@H:11]([OH:43])[C@@H:7]([OH:39])[C@H:15]([O:57][13CH3:3])[C@H:22]([C:27](=[O:47])[OH:48])[O:66]3)[C@@H:25]([C:30](=[O:53])[OH:54])[O:69]2)[C@H:24]([C:29](=[O:51])[OH:52])[O:67]1

Parent-child relations graph

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