[CorL polyketide synthase] intermediate V

Properties Image MNX_ID MNXM1562819 reference metacycM:CorL-Intermediate-V formula C29H46N3O12PS*2 global charge -2 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)=C/C/C=C/C)CC(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C31H54N3O12PS/c1-7-8-9-11-22(2)12-10-14-31(42,18-26(37)38)19-27(39)48-17-16-33-25(36)13-15-34-29(41)28(40)30(4,5)21-46-47(43,44)45-20-24(32-6)23(3)35/h7-8,11,24,28,32,40,42H,9-10,12-21H2,1-6H3,(H,33,36)(H,34,41)(H,37,38)(H,43,44)/b8-7+,22-11+/t24-,28-,31?/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:7]=[CH:8]/[CH2:9]/[CH:11]=[C:22](\[CH3:2])[CH2:12][CH2:10][CH2:14][C:31]([CH2:18][C:26](=[O:37])[OH:38])([CH2:19][C:27](=[O:39])[S:48][CH2:17][CH2:16][N:33]=[C:25]([CH2:13][CH2:15][N:34]=[C:29]([C@@H:28]([C:30]([CH3:4])([CH3:5])[CH2:21][O:46][P:47]([OH:43])(=[O:44])[O:45][CH2:20][C@@H:24]([C:23]([13CH3:3])=[O:35])[NH:32][13CH3:6])[OH:40])[OH:41])[OH:36])[OH:42]

Parent-child relations graph

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