an unsaturated pectate trisaccharide

Properties Image MNX_ID MNXM22175 reference metacycM:CPD-17706 formula C18H21O18 global charge -3 mol weight 525.348 InChIKey OJSLFVXSYWEYPC-JKDSQNFWSA-K InChI InChI=1S/C18H24O18/c19-2-1-3(13(25)26)32-17(4(2)20)34-10-6(22)8(24)18(36-12(10)15(29)30)35-9-5(21)7(23)16(31)33-11(9)14(27)28/h1-2,4-12,16-24,31H,(H,25,26)(H,27,28)(H,29,30)/p-3/t2-,4+,5+,6+,7+,8+,9+,10+,11-,12-,16-,17+,18-/m0/s1 SMILES O=C([O-])C1=C[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)[O-])O[C@@H]2C(=O)[O-])O1 MNX internals InChI (mnx) InChI=1/C18H24O18/c19-2-1-3(13(25)26)32-17(4(2)20)34-10-6(22)8(24)18(36-12(10)15(29)30)35-9-5(21)7(23)16(31)33-11(9)14(27)28/h1-2,4-12,16-24,31H,(H,25,26)(H,27,28)(H,29,30)/t2-,4+,5+,6+,7+,8+,9+,10+,11-,12-,16-,17+,18-/m0/s1 SMILES (mnx) [CH:1]1=[C:3]([C:13](=[O:25])[OH:26])[O:32][C@H:17]([O:34][C@@H:10]2[C@H:6]([OH:22])[C@@H:8]([OH:24])[C@@H:18]([O:35][C@@H:9]3[C@H:5]([OH:21])[C@@H:7]([OH:23])[C@@H:16]([OH:31])[O:33][C@@H:11]3[C:14](=[O:27])[OH:28])[O:36][C@@H:12]2[C:15](=[O:29])[OH:30])[C@H:4]([OH:20])[C@H:2]1[OH:19]

Parent-child relations graph

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