coenzyme M-coenzyme B heterodisulfide

Properties Image MNX_ID MNXM1145 reference chebi:58411 formula C13H22NO10PS3 global charge -4 mol weight 479.491 InChIKey OBGQLHXSMIBYLN-PWSUYJOCSA-J InChI InChI=1S/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/p-4/t10-,12+/m1/s1 SMILES C[C@@H](OP(=O)([O-])[O-])[C@H](NC(=O)CCCCCCSSCCS(=O)(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/t10-,12+/m1/s1 SMILES (mnx) [CH3:1][C@H:10]([C@@H:12]([C:13](=[O:16])[OH:17])[N:14]=[C:11]([CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][S:26][S:27][CH2:8][CH2:9][S:28]([OH:21])(=[O:22])=[O:23])[OH:15])[O:24][P:25]([OH:18])([OH:19])=[O:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 17 in models (compartimentalized) 7