4-deoxy-beta-L-erythro-hex-4-enopyranuronosyl-(1,4)-D-N-sulfoglucosamine

Properties Image MNX_ID MNXM147826 reference metacycM:CPD-17702 formula C12H17NO13S global charge -2 mol weight 415.329 InChIKey BWLVBDNSYNAYLV-NODFLXBDSA-L InChI InChI=1S/C12H19NO13S/c14-2-5-9(8(17)6(11(20)24-5)13-27(21,22)23)26-12-7(16)3(15)1-4(25-12)10(18)19/h1,3,5-9,11-17,20H,2H2,(H,18,19)(H,21,22,23)/p-2/t3-,5+,6+,7+,8+,9+,11?,12-/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](NS(=O)(=O)[O-])C(O)O[C@@H]2CO)O1 MNX internals InChI (mnx) InChI=1/C12H19NO13S/c14-2-5-9(8(17)6(11(20)24-5)13-27(21,22)23)26-12-7(16)3(15)1-4(25-12)10(18)19/h1,3,5-9,11-17,20H,2H2,(H,18,19)(H,21,22,23)/t3-,5+,6+,7+,8+,9+,11?,12-/m0/s1 SMILES (mnx) [CH:1]1=[C:4]([C:10](=[O:18])[OH:19])[O:25][C@@H:12]([O:26][C@@H:9]2[C@@H:5]([CH2:2][OH:14])[O:24][CH:11]([OH:20])[C@H:6]([NH:13][S:27]([OH:21])(=[O:22])=[O:23])[C@H:8]2[OH:17])[C@H:7]([OH:16])[C@H:3]1[OH:15]

Parent-child relations graph

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