(2S,3R,4S,5S,6S)-6-(4-{4-[(2R)-2-amino-2-carboxyethyl]phenoxy}-2,6-diiodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Properties Image MNX_ID MNXM1101985 reference chebi:185123 formula C21H21I2NO10 global charge 0 mol weight 701.204 InChIKey YRBUOLMYUUYBEK-YIISYXSVSA-N InChI InChI=1S/C21H21I2NO10/c22-11-6-10(32-9-3-1-8(2-4-9)5-13(24)19(28)29)7-12(23)17(11)33-21-16(27)14(25)15(26)18(34-21)20(30)31/h1-4,6-7,13-16,18,21,25-27H,5,24H2,(H,28,29)(H,30,31)/t13-,14+,15-,16+,18+,21-/m1/s1 SMILES N[C@H](CC1=CC=C(OC2=CC(I)=C(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]3O)C(I)=C2)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C21H21I2NO10/c22-11-6-10(32-9-3-1-8(2-4-9)5-13(24)19(28)29)7-12(23)17(11)33-21-16(27)14(25)15(26)18(34-21)20(30)31/h1-4,6-7,13-16,18,21,25-27H,5,24H2,(H,28,29)(H,30,31)/t13-,14+,15-,16+,18+,21-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:9]([O:32][C:10]2=[CH:6][C:11]([I:22])=[C:17]([O:33][C@H:21]3[C@@H:16]([OH:27])[C@@H:14]([OH:25])[C@@H:15]([OH:26])[C@@H:18]([C:20](=[O:30])[OH:31])[O:34]3)[C:12]([I:23])=[CH:7]2)=[CH:4][CH:2]=[C:8]1[CH2:5][C@H:13]([C:19](=[O:28])[OH:29])[NH2:24]

Parent-child relations graph

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