antimycin intermediate 2-[AntC non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1562927 reference metacycM:Intermediate-2-AntC formula C29H41N5O15PS*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@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/C31H48N5O15PS/c1-17(38)22(32-6)14-49-52(47,48)50-15-31(4,5)26(42)28(44)34-11-10-23(40)33-12-13-53-30(46)19(3)51-29(45)24(18(2)39)36-27(43)20-8-7-9-21(25(20)41)35-16-37/h7-9,16,18-19,22,24,26,32,39,41-42H,10-15H2,1-6H3,(H,33,40)(H,34,44)(H,35,37)(H,36,43)(H,47,48)/t18-,19+,22+,24+,26+/m1/s1/i1+1,6+1 SMILES (mnx) [13CH3:1][C:17]([C@H:22]([CH2:14][O:49][P:52]([OH:47])(=[O:48])[O:50][CH2:15][C:31]([CH3:4])([CH3:5])[C@H:26]([C:28](=[N:34][CH2:11][CH2:10][C:23](=[N:33][CH2:12][CH2:13][S:53][C:30]([C@H:19]([CH3:3])[O:51][C:29]([C@H:24]([C@@H:18]([CH3:2])[OH:39])[N:36]=[C:27]([C:20]1=[C:25]([OH:41])[C:21]([N:35]=[CH:16][OH:37])=[CH:9][CH:7]=[CH:8]1)[OH:43])=[O:45])=[O:46])[OH:40])[OH:44])[OH:42])[NH:32][13CH3:6])=[O:38]

Parent-child relations graph

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