S-(4,8-dimethylnonanoyl)-4'-phosphopantetheine

Properties Image MNX_ID MNXM1129260 reference chebi:172385 formula C22H41N2O8PS global charge -2 mol weight 524.617 InChIKey UGVIHVOYCYWYSX-OZBJMMHXSA-L InChI InChI=1S/C22H43N2O8PS/c1-16(2)7-6-8-17(3)9-10-19(26)34-14-13-23-18(25)11-12-24-21(28)20(27)22(4,5)15-32-33(29,30)31/h16-17,20,27H,6-15H2,1-5H3,(H,23,25)(H,24,28)(H2,29,30,31)/p-2/t17?,20-/m0/s1 SMILES CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])[O-] MNX internals InChI (mnx) InChI=1/C22H43N2O8PS/c1-16(2)7-6-8-17(3)9-10-19(26)34-14-13-23-18(25)11-12-24-21(28)20(27)22(4,5)15-32-33(29,30)31/h16-17,20,27H,6-15H2,1-5H3,(H,23,25)(H,24,28)(H2,29,30,31)/t17?,20-/m0/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[CH2:7][CH2:6][CH2:8][CH:17]([CH3:3])[CH2:9][CH2:10][C:19](=[O:26])[S:34][CH2:14][CH2:13][N:23]=[C:18]([CH2:11][CH2:12][N:24]=[C:21]([C@@H:20]([C:22]([CH3:4])([CH3:5])[CH2:15][O:32][P:33]([OH:29])([OH:30])=[O:31])[OH:27])[OH:28])[OH:25]

Parent-child relations graph

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