4-deoxy-2-O-sulfo-beta-L-erythro-hex-4-enopyranuronosyl-(1,4)-D-N-sulfoglucosamine 6-O-sulfate

Properties Image MNX_ID MNXM147825 reference metacycM:CPD-17701 formula C12H15NO19S3 global charge -4 mol weight 573.441 InChIKey LRPGJWKAYQRIAQ-NODFLXBDSA-J InChI InChI=1S/C12H19NO19S3/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27)/p-4/t3-,5+,6+,7+,8+,9+,11?,12-/m0/s1 SMILES O=C([O-])C1=C[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])C(O)O[C@@H]2COS(=O)(=O)[O-])O1 MNX internals InChI (mnx) InChI=1/C12H19NO19S3/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27)/t3-,5+,6+,7+,8+,9+,11?,12-/m0/s1 SMILES (mnx) [CH:1]1=[C:4]([C:10](=[O:16])[OH:17])[O:30][C@@H:12]([O:31][C@@H:9]2[C@@H:5]([CH2:2][O:28][S:34]([OH:22])(=[O:23])=[O:24])[O:29][CH:11]([OH:18])[C@H:6]([NH:13][S:33]([OH:19])(=[O:20])=[O:21])[C@H:7]2[OH:15])[C@H:8]([O:32][S:35]([OH:25])(=[O:26])=[O:27])[C@H:3]1[OH:14]

Parent-child relations graph

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