[CorK polyketide synthase] intermediate V

Properties Image MNX_ID MNXM1562810 reference metacycM:CorK-Intermediate-V formula C24H38N3O12PS*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)(CC/C=C/C)CC(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C26H46N3O12PS/c1-6-7-8-10-26(37,14-21(32)33)15-22(34)43-13-12-28-20(31)9-11-29-24(36)23(35)25(3,4)17-41-42(38,39)40-16-19(27-5)18(2)30/h6-7,19,23,27,35,37H,8-17H2,1-5H3,(H,28,31)(H,29,36)(H,32,33)(H,38,39)/b7-6+/t19-,23-,26?/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1]/[CH:6]=[CH:7]/[CH2:8][CH2:10][C:26]([CH2:14][C:21](=[O:32])[OH:33])([CH2:15][C:22](=[O:34])[S:43][CH2:13][CH2:12][N:28]=[C:20]([CH2:9][CH2:11][N:29]=[C:24]([C@@H:23]([C:25]([CH3:3])([CH3:4])[CH2:17][O:41][P:42]([OH:38])(=[O:39])[O:40][CH2:16][C@@H:19]([C:18]([13CH3:2])=[O:30])[NH:27][13CH3:5])[OH:35])[OH:36])[OH:31])[OH:37]

Parent-child relations graph

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