[CorL polyketide synthase] intermediate III

Properties Image MNX_ID MNXM1562816 reference metacycM:CorL-Intermediate-III formula C25H41N3O9PS*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)CCC/C(C)=C/C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C27H48N3O9PS/c1-7-8-9-11-20(2)12-10-13-24(33)41-17-16-29-23(32)14-15-30-26(35)25(34)27(4,5)19-39-40(36,37)38-18-22(28-6)21(3)31/h7-8,11,22,25,28,34H,9-10,12-19H2,1-6H3,(H,29,32)(H,30,35)(H,36,37)/b8-7+,20-11+/t22-,25-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:7]=[CH:8]/[CH2:9]/[CH:11]=[C:20](\[CH3:2])[CH2:12][CH2:10][CH2:13][C:24](=[O:33])[S:41][CH2:17][CH2:16][N:29]=[C:23]([CH2:14][CH2:15][N:30]=[C:26]([C@@H:25]([C:27]([CH3:4])([CH3:5])[CH2:19][O:39][P:40]([OH:36])(=[O:37])[O:38][CH2:18][C@@H:22]([C:21]([13CH3:3])=[O:31])[NH:28][13CH3:6])[OH:34])[OH:35])[OH:32]

Parent-child relations graph

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