(16S)-16-methyl-9,11,15,17,21-pentahydroxytricos-2,4,6,12-tetraenoyl-[SpnE polyketide synthase]

Properties Image MNX_ID MNXM1562587 reference metacycM:16-Methyl-pentahydroxytricos-2-4-6-12-tetraenoyl-SpnE formula C38H63N3O14PS*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/C=C/C=C/CC(O)CC(O)/C=C/CC(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C40H70N3O14PS/c1-7-30(45)16-13-18-34(48)28(2)35(49)19-14-17-32(47)25-31(46)15-11-9-8-10-12-20-37(51)59-24-23-42-36(50)21-22-43-39(53)38(52)40(4,5)27-57-58(54,55)56-26-33(41-6)29(3)44/h8-12,14,17,20,28,30-35,38,41,45-49,52H,7,13,15-16,18-19,21-27H2,1-6H3,(H,42,50)(H,43,53)(H,54,55)/b10-8+,11-9+,17-14+,20-12+/t28-,30?,31?,32?,33-,34?,35?,38-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH:30]([CH2:16][CH2:13][CH2:18][CH:34]([C@H:28]([CH3:2])[CH:35]([CH2:19]/[CH:14]=[CH:17]/[CH:32]([CH2:25][CH:31]([CH2:15]/[CH:11]=[CH:9]/[CH:8]=[CH:10]/[CH:12]=[CH:20]/[C:37](=[O:51])[S:59][CH2:24][CH2:23][N:42]=[C:36]([CH2:21][CH2:22][N:43]=[C:39]([C@@H:38]([C:40]([CH3:4])([CH3:5])[CH2:27][O:57][P:58]([OH:54])(=[O:55])[O:56][CH2:26][C@@H:33]([C:29]([13CH3:3])=[O:44])[NH:41][13CH3:6])[OH:52])[OH:53])[OH:50])[OH:46])[OH:47])[OH:49])[OH:48])[OH:45]

Parent-child relations graph

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