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

pyochelinyl-[PchF non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM11168 reference metacycM:Pyochelinyl-PchF formula C28H39N5O10PS3*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]1CS[C@H]([C@H]2CSC(c3ccccc3O)=N2)N1C)C([*])=O MNX internals InChI (mnx) InChI=1/C30H46N5O10PS3/c1-18(36)20(31-4)14-44-46(42,43)45-17-30(2,3)25(39)26(40)33-11-10-24(38)32-12-13-47-29(41)22-16-49-28(35(22)5)21-15-48-27(34-21)19-8-6-7-9-23(19)37/h6-9,20-22,25,28,31,37,39H,10-17H2,1-5H3,(H,32,38)(H,33,40)(H,42,43)/t20-,21+,22-,25-,28+/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:28]([CH3:2])([CH2:16][O:43][O:44]([OH:40])(=[O:41])[O:42][CH2:13][CH:17]([C:12](=[NH:34])[SH:48])[CH2:29][SH:49])[C@H:23]([C:24]([NH:31][CH2:9][CH2:8][C:22]([CH2:30][CH2:10][CH2:11][O:45][C:27]([C@H:20]1[CH2:15][S:47][C@@H:26]([C@H:19]2[CH2:14][PH:46][C:25]([c:18]3[cH:6][13cH:4][cH:5][cH:7][c:21]3[NH2:35])=[N:32]2)[N:33]1[CH3:3])=[O:39])=[O:36])=[O:38])[OH:37]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Pyochelinyl-PchF metacycM:Pyochelinyl-PchF	pyochelinyl-[PchF non-ribosomal peptide synthase]
seed.compound:cpd23231 seedM:cpd23231	CPD-12091 Pyochelinyl-PchF
seedM:M_cpd23231	secondary/obsolete/fantasy identifier