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

a 3-hydroxyquinaldyl-D-cysteinyl-glycyl-[non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM164243 reference metacycM:HQA-D-Cys-Gly-NRPS formula C29H38N6O12PS2*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)CNC(=O)[C@@H](CS)NC(=O)c1nc2ccccc2cc1O)C([*])=O MNX internals InChI (mnx) InChI=1/C31H45N6O12PS2/c1-18(38)21(32-4)15-48-50(46,47)49-17-31(2,3)27(42)30(45)34-10-9-24(40)33-11-12-52-25(41)14-35-28(43)22(16-51)37-29(44)26-23(39)13-19-7-5-6-8-20(19)36-26/h5-8,13,21-22,27,32,39,42,51H,9-12,14-17H2,1-4H3,(H,33,40)(H,34,45)(H,35,43)(H,37,44)(H,46,47)/t21-,22+,27-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:11]([CH3:2])([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][13CH2:4][CH2:3][C:8]([CH2:12][CH2:5][CH2:6][O:41][O:43]([O:42][O:44][O:48]([O:47]([O:46][PH2:50])[O:49][N:37]([N:36]1=[O:39][N:35]2=[N:32][CH:30]=[CH:29][CH:31]=[N:34]2[O:38]=[N:33]1[SH:52])=[O:40])=[S:51])=[O:45])=[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:HQA-D-Cys-Gly-NRPS metacycM:HQA-D-Cys-Gly-NRPS	a 3-hydroxyquinaldyl-D-cysteinyl-glycyl-[non-ribosomal peptide synthase]
seed.compound:cpd36343 seedM:cpd36343	HQA-D-Cys-Gly-NRPS
seedM:M_cpd36343	secondary/obsolete/fantasy identifier