4-amino-4-deoxy-beta-L-arabinopyranosyl-lipid A

Properties Image MNX_ID MNXM4486 reference chebi:58714 formula C17H29N3O18P2*4 global charge -2 mol weight   InChIKey   InChI   SMILES [*]N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](N[*])[C@@H](O[*])[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)([O-])O[C@H]2OC[C@H]([NH3+])[C@H](O)[C@H]2O)[C@@H]1O[*] MNX internals InChI (mnx) InChI=1/C21H43N3O18P2/c1-23-11-17(34-3)14(27)10(39-20(11)41-43(29,30)31)7-37-19-12(24-2)18(35-4)16(9(5-25)38-19)40-44(32,33)42-21-15(28)13(26)8(22)6-36-21/h8-21,23-28H,5-7,22H2,1-4H3,(H,32,33)(H2,29,30,31)/t8-,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+/m0/s1/i1+1,2+1,3+1,4+1 SMILES (mnx) [13CH3:1][NH:23][C@@H:11]1[C@@H:17]([O:34][13CH3:3])[C@H:14]([OH:27])[C@@H:10]([CH2:7][O:37][C@H:19]2[C@H:12]([NH:24][13CH3:2])[C@@H:18]([O:35][13CH3:4])[C@H:16]([O:40][P:44]([OH:32])(=[O:33])[O:42][C@@H:21]3[C@H:15]([OH:28])[C@@H:13]([OH:26])[C@@H:8]([NH2:22])[CH2:6][O:36]3)[C@@H:9]([CH2:5][OH:25])[O:38]2)[O:39][C@@H:20]1[O:41][P:43]([OH:29])([OH:30])=[O:31]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0