antimycin intermediate 4-[AntD polyketide synthase]

Properties Image MNX_ID MNXM1562929 reference metacycM:Intermediate-4-AntD formula C31H44N5O16PS*3 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@H]([*])[C@@H](O)[C@H](C)OC(=O)[C@@H](NC(=O)C1=CC=CC(NC=O)=C1O)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C34H54N5O16PS/c1-18(27(44)21(4)55-32(49)26(20(3)42)39-30(47)22-9-8-10-23(28(22)45)38-17-40)33(50)57-14-13-36-25(43)11-12-37-31(48)29(46)34(5,6)16-54-56(51,52)53-15-24(35-7)19(2)41/h8-10,17-18,20-21,24,26-27,29,35,42,44-46H,11-16H2,1-7H3,(H,36,43)(H,37,48)(H,38,40)(H,39,47)(H,51,52)/t18-,20-,21+,24+,26+,27-,29+/m1/s1/i1+1,2+1,7+1 SMILES (mnx) [13CH3:1][C@H:18]([C@H:27]([C@H:21]([CH3:4])[O:55][C:32]([C@H:26]([C@@H:20]([CH3:3])[OH:42])[N:39]=[C:30]([C:22]1=[C:28]([OH:45])[C:23]([N:38]=[CH:17][OH:40])=[CH:10][CH:8]=[CH:9]1)[OH:47])=[O:49])[OH:44])[C:33](=[O:50])[S:57][CH2:14][CH2:13][N:36]=[C:25]([CH2:11][CH2:12][N:37]=[C:31]([C@@H:29]([C:34]([CH3:5])([CH3:6])[CH2:16][O:54][P:56]([OH:51])(=[O:52])[O:53][CH2:15][C@@H:24]([C:19]([13CH3:2])=[O:41])[NH:35][13CH3:7])[OH:46])[OH:48])[OH:43]

Parent-child relations graph

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