a (7Z)-3-oxotetradec-7-enoyl-[acp]

Properties Image MNX_ID MNXM10095 reference metacycM:3-oxo-cis-D7-tetradecenoyl-ACPs formula C28H47N3O10PS*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)CCC/C=C\CCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C30H54N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-24(35)20-27(37)45-19-18-32-26(36)16-17-33-29(39)28(38)30(3,4)22-43-44(40,41)42-21-25(31-5)23(2)34/h11-12,25,28,31,38H,6-10,13-22H2,1-5H3,(H,32,36)(H,33,39)(H,40,41)/b12-11-/t25-,28-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][C:24]([CH2:20][C:27](=[O:37])[S:45][CH2:19][CH2:18][N:32]=[C:26]([CH2:16][CH2:17][N:33]=[C:29]([C@@H:28]([C:30]([CH3:3])([CH3:4])[CH2:22][O:43][P:44]([OH:40])(=[O:41])[O:42][CH2:21][C@@H:25]([C:23]([13CH3:2])=[O:34])[NH:31][13CH3:5])[OH:38])[OH:39])[OH:36])=[O:35]

Parent-child relations graph

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