antimycin intermediate 1-[AntC non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1562926 reference metacycM:Intermediate-1-AntC formula C26H37N5O13PS*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](NC(=O)C1=CC=CC(NC=O)=C1O)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C28H44N5O13PS/c1-16(35)20(29-5)13-45-47(43,44)46-14-28(3,4)24(39)26(41)31-10-9-21(37)30-11-12-48-27(42)22(17(2)36)33-25(40)18-7-6-8-19(23(18)38)32-15-34/h6-8,15,17,20,22,24,29,36,38-39H,9-14H2,1-5H3,(H,30,37)(H,31,41)(H,32,34)(H,33,40)(H,43,44)/t17-,20+,22+,24+/m1/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:16]([C@H:20]([CH2:13][O:45][P:47]([OH:43])(=[O:44])[O:46][CH2:14][C:28]([CH3:3])([CH3:4])[C@H:24]([C:26](=[N:31][CH2:10][CH2:9][C:21](=[N:30][CH2:11][CH2:12][S:48][C:27]([C@H:22]([C@@H:17]([CH3:2])[OH:36])[N:33]=[C:25]([C:18]1=[C:23]([OH:38])[C:19]([N:32]=[CH:15][OH:34])=[CH:8][CH:6]=[CH:7]1)[OH:40])=[O:42])[OH:37])[OH:41])[OH:39])[NH:29][13CH3:5])=[O:35]

Parent-child relations graph

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