(6S)-5,7,11-trihydroxy-6-methyl-tridec-2-enoyl-[SpnD polyketide synthase]

Properties Image MNX_ID MNXM1562648 reference metacycM:5-7-11-Trihydroxy-6-methyl-tridec-2-enoyl-SpnD formula C28H49N3O12PS*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/CC(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C30H56N3O12PS/c1-7-22(35)10-8-11-24(36)20(2)25(37)12-9-13-27(39)47-17-16-32-26(38)14-15-33-29(41)28(40)30(4,5)19-45-46(42,43)44-18-23(31-6)21(3)34/h9,13,20,22-25,28,31,35-37,40H,7-8,10-12,14-19H2,1-6H3,(H,32,38)(H,33,41)(H,42,43)/b13-9+/t20-,22?,23-,24?,25?,28-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH:22]([CH2:10][CH2:8][CH2:11][CH:24]([C@H:20]([CH3:2])[CH:25]([CH2:12]/[CH:9]=[CH:13]/[C:27](=[O:39])[S:47][CH2:17][CH2:16][N:32]=[C:26]([CH2:14][CH2:15][N:33]=[C:29]([C@@H:28]([C:30]([CH3:4])([CH3:5])[CH2:19][O:45][P:46]([OH:42])(=[O:43])[O:44][CH2:18][C@@H:23]([C:21]([13CH3:3])=[O:34])[NH:31][13CH3:6])[OH:40])[OH:41])[OH:38])[OH:37])[OH:36])[OH:35]

Parent-child relations graph

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