an (11Z)-3-oxo-icos-11-enoyl-[acp]

Properties Image MNX_ID MNXM148050 reference metacycM:11Z-3-oxo-icos-11-enoyl-ACPs formula C34H59N3O10PS*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)CCCCCCC/C=C\CCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C36H66N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(41)26-33(43)51-25-24-38-32(42)22-23-39-35(45)34(44)36(3,4)28-49-50(46,47)48-27-31(37-5)29(2)40/h13-14,31,34,37,44H,6-12,15-28H2,1-5H3,(H,38,42)(H,39,45)(H,46,47)/b14-13-/t31-,34-/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][CH2:20][CH2:21][C:30]([CH2:26][C:33](=[O:43])[S:51][CH2:25][CH2:24][N:38]=[C:32]([CH2:22][CH2:23][N:39]=[C:35]([C@@H:34]([C:36]([CH3:3])([CH3:4])[CH2:28][O:49][P:50]([OH:46])(=[O:47])[O:48][CH2:27][C@@H:31]([C:29]([13CH3:2])=[O:40])[NH:37][13CH3:5])[OH:44])[OH:45])[OH:42])=[O:41]

Parent-child relations graph

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