a 6,8-dimethyl-3-oxo-4,6-decadienoyl-[acp]

Properties Image MNX_ID MNXM147857 reference metacycM:CPD-17125 formula C26H41N3O10PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)/C=C/C(C)=C/C(C)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C28H48N3O10PS/c1-8-19(2)15-20(3)9-10-22(33)16-25(35)43-14-13-30-24(34)11-12-31-27(37)26(36)28(5,6)18-41-42(38,39)40-17-23(29-7)21(4)32/h9-10,15,19,23,26,29,36H,8,11-14,16-18H2,1-7H3,(H,30,34)(H,31,37)(H,38,39)/b10-9+,20-15+/t19?,23-,26-/m0/s1/i4+1,7+1 SMILES (mnx) [CH3:1][CH2:8][CH:19]([CH3:2])/[CH:15]=[C:20]([CH3:3])/[CH:9]=[CH:10]/[C:22]([CH2:16][C:25](=[O:35])[S:43][CH2:14][CH2:13][N:30]=[C:24]([CH2:11][CH2:12][N:31]=[C:27]([C@@H:26]([C:28]([CH3:5])([CH3:6])[CH2:18][O:41][P:42]([OH:38])(=[O:39])[O:40][CH2:17][C@@H:23]([C:21]([13CH3:4])=[O:32])[NH:29][13CH3:7])[OH:36])[OH:37])[OH:34])=[O:33]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0