a (9Z)-3-oxo-octadec-9-enoyl-[acp]

Properties Image MNX_ID MNXM147910 reference metacycM:9Z-3-oxo-octadec-9-enoyl-ACPs formula C32H55N3O10PS*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)CCCCC/C=C\CCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C34H62N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(39)24-31(41)49-23-22-36-30(40)20-21-37-33(43)32(42)34(3,4)26-47-48(44,45)46-25-29(35-5)27(2)38/h13-14,29,32,35,42H,6-12,15-26H2,1-5H3,(H,36,40)(H,37,43)(H,44,45)/b14-13-/t29-,32-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:28]([CH2:24][C:31](=[O:41])[S:49][CH2:23][CH2:22][N:36]=[C:30]([CH2:20][CH2:21][N:37]=[C:33]([C@@H:32]([C:34]([CH3:3])([CH3:4])[CH2:26][O:47][P:48]([OH:44])(=[O:45])[O:46][CH2:25][C@@H:29]([C:27]([13CH3:2])=[O:38])[NH:35][13CH3:5])[OH:42])[OH:43])[OH:40])=[O:39]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0