dodecapentaenoyl-[Fma polyketide synthase]

Properties Image MNX_ID MNXM1562857 reference metacycM:Dodecapentaenoyl-Fma-PKS formula C26H37N3O9PS*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)/C=C/C=C/C=C/C=C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C28H44N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-25(34)42-19-18-30-24(33)16-17-31-27(36)26(35)28(3,4)21-40-41(37,38)39-20-23(29-5)22(2)32/h6-15,23,26,29,35H,16-21H2,1-5H3,(H,30,33)(H,31,36)(H,37,38)/b7-6+,9-8+,11-10+,13-12+,15-14+/t23-,26-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1]/[CH:6]=[CH:7]/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[CH:12]=[CH:13]/[CH:14]=[CH:15]/[C:25](=[O:34])[S:42][CH2:19][CH2:18][N:30]=[C:24]([CH2:16][CH2:17][N:31]=[C:27]([C@@H:26]([C:28]([CH3:3])([CH3:4])[CH2:21][O:40][P:41]([OH:37])(=[O:38])[O:39][CH2:20][C@@H:23]([C:22]([13CH3:2])=[O:32])[NH:29][13CH3:5])[OH:35])[OH:36])[OH:33]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0