(14S)-14-methyl-7,9,13,15,19-pentahydroxyuncos-2,4,10-trienoyl-[SpnE polyketide synthase]

Properties Image MNX_ID MNXM1562586 reference metacycM:14-Methyl-pentahydroxyuncos-2-4-10-trienoyl-SpnE formula C36H61N3O14PS*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/CC(O)CC(O)/C=C/CC(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C38H68N3O14PS/c1-7-28(43)14-11-16-32(46)26(2)33(47)17-12-15-30(45)23-29(44)13-9-8-10-18-35(49)57-22-21-40-34(48)19-20-41-37(51)36(50)38(4,5)25-55-56(52,53)54-24-31(39-6)27(3)42/h8-10,12,15,18,26,28-33,36,39,43-47,50H,7,11,13-14,16-17,19-25H2,1-6H3,(H,40,48)(H,41,51)(H,52,53)/b9-8+,15-12+,18-10+/t26-,28?,29?,30?,31-,32?,33?,36-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH:28]([CH2:14][CH2:11][CH2:16][CH:32]([C@H:26]([CH3:2])[CH:33]([CH2:17]/[CH:12]=[CH:15]/[CH:30]([CH2:23][CH:29]([CH2:13]/[CH:9]=[CH:8]/[CH:10]=[CH:18]/[C:35](=[O:49])[S:57][CH2:22][CH2:21][N:40]=[C:34]([CH2:19][CH2:20][N:41]=[C:37]([C@@H:36]([C:38]([CH3:4])([CH3:5])[CH2:25][O:55][P:56]([OH:52])(=[O:53])[O:54][CH2:24][C@@H:31]([C:27]([13CH3:3])=[O:42])[NH:39][13CH3:6])[OH:50])[OH:51])[OH:48])[OH:44])[OH:45])[OH:47])[OH:46])[OH:43]

Parent-child relations graph

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