**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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)c1cnc2ccccc2n1)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:11]([13CH3:2])([CH2:7][CH2:17][C:18]([CH2:26][CH2:19][C@H:20]([C:21]([CH3:22])=[CH2:24])[CH2:23][CH3:25])([CH3:27])=[CH2:28])[C@@H:9]([C:10]([CH2:13][CH2:4][CH2:3][C:8]([CH2:12][13CH2:5][CH2:6][O:41][O:44]([O:43]([OH:42])[O:45][O:49]([O:48]([O:47][PH2:51])[O:50][N:37]([N:36]1=[O:39][N:35]2=[N:32][CH:30]=[CH:29][CH:31]=[N:34]2[N:38]=[N:33]1)=[O:40])=[S:52])=[O:46])=[CH2:14])=[CH2:16])[CH3:15]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:QXC-D-Ser-L-Ala-NRPS metacycM:QXC-D-Ser-L-Ala-NRPS	a quinoxaline-2-carboxyl-D-seryl-L-alanyl-[non-ribosomal peptide synthase]
seed.compound:cpd36199 seedM:cpd36199	QXC-D-Ser-L-Ala-NRPS
seedM:M_cpd36199	secondary/obsolete/fantasy identifier