(10S)-10-methyl-3,5,9,11,15-pentahydroxyheptadec-6-enoyl-[SpnD polyketide synthase]

Properties Image MNX_ID MNXM1562583 reference metacycM:10-methyl-3-5-9-11-15-pentahydroxyheptadec-6-enoyl-SpnD formula C32H57N3O14PS*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)CC(O)CC(O)/C=C/CC(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C34H64N3O14PS/c1-7-24(39)10-8-12-28(42)22(2)29(43)13-9-11-25(40)18-26(41)19-31(45)53-17-16-36-30(44)14-15-37-33(47)32(46)34(4,5)21-51-52(48,49)50-20-27(35-6)23(3)38/h9,11,22,24-29,32,35,39-43,46H,7-8,10,12-21H2,1-6H3,(H,36,44)(H,37,47)(H,48,49)/b11-9+/t22-,24?,25?,26?,27-,28?,29?,32-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH:24]([CH2:10][CH2:8][CH2:12][CH:28]([C@H:22]([CH3:2])[CH:29]([CH2:13]/[CH:9]=[CH:11]/[CH:25]([CH2:18][CH:26]([CH2:19][C:31](=[O:45])[S:53][CH2:17][CH2:16][N:36]=[C:30]([CH2:14][CH2:15][N:37]=[C:33]([C@@H:32]([C:34]([CH3:4])([CH3:5])[CH2:21][O:51][P:52]([OH:48])(=[O:49])[O:50][CH2:20][C@@H:27]([C:23]([13CH3:3])=[O:38])[NH:35][13CH3:6])[OH:46])[OH:47])[OH:44])[OH:41])[OH:40])[OH:43])[OH:42])[OH:39]

Parent-child relations graph

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