5-deoxy-4-epi-2,3-dehydro-Kdo-(4->8)-alpha-Kdo

Properties Image MNX_ID MNXM38089 reference chebi:61570 formula C16H24O13 global charge 0 mol weight 424.355 InChIKey UNHDIKYSAGHBNY-KWOHMGQJSA-N InChI InChI=1S/C16H24O13/c17-4-8(19)10-1-6(2-11(28-10)14(22)23)27-5-9(20)13-12(21)7(18)3-16(26,29-13)15(24)25/h2,6-10,12-13,17-21,26H,1,3-5H2,(H,22,23)(H,24,25)/t6-,7-,8-,9-,10+,12-,13-,16-/m1/s1 SMILES O=C(O)C1=C[C@H](OC[C@@H](O)[C@H]2O[C@@](O)(C(=O)O)C[C@@H](O)[C@H]2O)C[C@@H]([C@H](O)CO)O1 MNX internals InChI (mnx) InChI=1/C16H24O13/c17-4-8(19)10-1-6(2-11(28-10)14(22)23)27-5-9(20)13-12(21)7(18)3-16(26,29-13)15(24)25/h2,6-10,12-13,17-21,26H,1,3-5H2,(H,22,23)(H,24,25)/t6-,7-,8-,9-,10+,12-,13-,16-/m1/s1 SMILES (mnx) [CH2:1]1[C@@H:6]([O:27][CH2:5][C@H:9]([C@@H:13]2[C@H:12]([OH:21])[C@H:7]([OH:18])[CH2:3][C@@:16]([C:15](=[O:24])[OH:25])([OH:26])[O:29]2)[OH:20])[CH:2]=[C:11]([C:14](=[O:22])[OH:23])[O:28][C@@H:10]1[C@@H:8]([CH2:4][OH:17])[OH:19]

Parent-child relations graph

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