a quinoxaline-2-carboxyl-D-seryl-L-alanyl-[non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM165101 reference metacycM:QXC-D-Ser-L-Ala-NRPS formula C29H39N7O12PS*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)NC(=O)[C@@H](CO)NC(=O)C1=NC2=CC=CC=C2N=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C31H46N7O12PS/c1-18(36-28(44)23(15-39)38-27(43)22-14-35-20-8-6-7-9-21(20)37-22)30(46)52-13-12-33-25(41)10-11-34-29(45)26(42)31(3,4)17-50-51(47,48)49-16-24(32-5)19(2)40/h6-9,14,18,23-24,26,32,39,42H,10-13,15-17H2,1-5H3,(H,33,41)(H,34,45)(H,36,44)(H,38,43)(H,47,48)/t18-,23+,24-,26-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C@@H:18]([C:30](=[O:46])[S:52][CH2:13][CH2:12][N:33]=[C:25]([CH2:10][CH2:11][N:34]=[C:29]([C@@H:26]([C:31]([CH3:3])([CH3:4])[CH2:17][O:50][P:51]([OH:47])(=[O:48])[O:49][CH2:16][C@@H:24]([C:19]([13CH3:2])=[O:40])[NH:32][13CH3:5])[OH:42])[OH:45])[OH:41])[N:36]=[C:28]([C@@H:23]([CH2:15][OH:39])[N:38]=[C:27]([C:22]1=[N:37][C:21]2=[CH:9][CH:7]=[CH:6][CH:8]=[C:20]2[N:35]=[CH:14]1)[OH:43])[OH:44]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0