L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo

Properties Image MNX_ID MNXM157023 reference chebi:78617 formula C22H38O20 global charge 0 mol weight 622.526 InChIKey KILMMTFBIAITLX-RKYQZPJPSA-N InChI InChI=1S/C22H38O20/c23-2-6(27)14-10(31)9(30)11(32)19(38-14)41-18-12(33)15(7(28)3-24)39-20(13(18)34)40-16-5(26)1-22(37,21(35)36)42-17(16)8(29)4-25/h5-20,23-34,37H,1-4H2,(H,35,36)/t5-,6+,7+,8-,9+,10+,11+,12-,13+,14-,15-,16-,17-,18+,19-,20-,22-/m1/s1 SMILES O=C(O)[C@@]1(O)C[C@@H](O)[C@@H](O[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]([C@H](O)CO)O1 MNX internals InChI (mnx) InChI=1/C22H38O20/c23-2-6(27)14-10(31)9(30)11(32)19(38-14)41-18-12(33)15(7(28)3-24)39-20(13(18)34)40-16-5(26)1-22(37,21(35)36)42-17(16)8(29)4-25/h5-20,23-34,37H,1-4H2,(H,35,36)/t5-,6+,7+,8-,9+,10+,11+,12-,13+,14-,15-,16-,17-,18+,19-,20-,22-/m1/s1 SMILES (mnx) [CH2:1]1[C@@H:5]([OH:26])[C@@H:16]([O:40][C@@H:20]2[C@@H:13]([OH:34])[C@@H:18]([O:41][C@@H:19]3[C@@H:11]([OH:32])[C@@H:9]([OH:30])[C@H:10]([OH:31])[C@@H:14]([C@H:6]([CH2:2][OH:23])[OH:27])[O:38]3)[C@H:12]([OH:33])[C@@H:15]([C@H:7]([CH2:3][OH:24])[OH:28])[O:39]2)[C@@H:17]([C@@H:8]([CH2:4][OH:25])[OH:29])[O:42][C@:22]1([C:21](=[O:35])[OH:36])[OH:37]

Parent-child relations graph

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