arseno-mycothiol

Properties Image MNX_ID MNXM3916 reference chebi:59655 formula C17H29AsN2O15S global charge -2 mol weight 608.407 InChIKey UFFVRAZTLALLGR-FQBKTPCVSA-L InChI InChI=1S/C17H31AsN2O15S/c1-4(22)19-5(3-36-18(31,32)33)16(30)20-7-9(24)8(23)6(2-21)34-17(7)35-15-13(28)11(26)10(25)12(27)14(15)29/h5-15,17,21,23-29H,2-3H2,1H3,(H,19,22)(H,20,30)(H2,31,32,33)/p-2/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1 SMILES CC(=O)N[C@@H](CS[As](=O)([O-])[O-])C(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C17H31AsN2O15S/c1-4(22)19-5(3-36-18(31,32)33)16(30)20-7-9(24)8(23)6(2-21)34-17(7)35-15-13(28)11(26)10(25)12(27)14(15)29/h5-15,17,21,23-29H,2-3H2,1H3,(H,19,22)(H,20,30)(H2,31,32,33)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1 SMILES (mnx) [CH3:1][C:4](=[N:19][C@@H:5]([CH2:3][S:36][As:18]([OH:31])([OH:32])=[O:33])[C:16](=[N:20][C@@H:7]1[C@@H:9]([OH:24])[C@H:8]([OH:23])[C@@H:6]([CH2:2][OH:21])[O:34][C@@H:17]1[O:35][C@H:15]1[C@H:13]([OH:28])[C@@H:11]([OH:26])[C@H:10]([OH:25])[C@@H:12]([OH:27])[C@H:14]1[OH:29])[OH:30])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 2