a 10-methyl-3-oxo-4,6,8-dodecatrienoyl-[acp]

Properties Image MNX_ID MNXM147684 reference metacycM:CPD-17135 formula C27H41N3O10PS*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(C)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C29H48N3O10PS/c1-7-21(2)12-10-8-9-11-13-23(34)18-26(36)44-17-16-31-25(35)14-15-32-28(38)27(37)29(4,5)20-42-43(39,40)41-19-24(30-6)22(3)33/h8-13,21,24,27,30,37H,7,14-20H2,1-6H3,(H,31,35)(H,32,38)(H,39,40)/b9-8+,12-10+,13-11+/t21?,24-,27-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH:21]([CH3:2])/[CH:12]=[CH:10]/[CH:8]=[CH:9]/[CH:11]=[CH:13]/[C:23]([CH2:18][C:26](=[O:36])[S:44][CH2:17][CH2:16][N:31]=[C:25]([CH2:14][CH2:15][N:32]=[C:28]([C@@H:27]([C:29]([CH3:4])([CH3:5])[CH2:20][O:42][P:43]([OH:39])(=[O:40])[O:41][CH2:19][C@@H:24]([C:22]([13CH3:3])=[O:33])[NH:30][13CH3:6])[OH:37])[OH:38])[OH:35])=[O:34]

Parent-child relations graph

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