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

N-desmethyl-pyochelin-[PchF non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM11167 reference metacycM:N-desmethyl-pyochelin-PchF formula C27H37N5O10PS3*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)N1)C([*])=O MNX internals InChI (mnx) InChI=1/C29H44N5O10PS3/c1-17(35)19(30-4)13-43-45(41,42)44-16-29(2,3)24(38)25(39)32-10-9-23(37)31-11-12-46-28(40)21-15-48-27(34-21)20-14-47-26(33-20)18-7-5-6-8-22(18)36/h5-8,19-21,24,27,30,34,36,38H,9-16H2,1-4H3,(H,31,37)(H,32,39)(H,41,42)/t19-,20+,21-,24-,27+/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:27]([CH3:2])([CH2:15][O:42][O:43]([OH:39])(=[O:40])[O:41][CH2:12][CH:16]([C:11](=[NH:33])[SH:47])[CH2:28][SH:48])[C@H:22]([C:23]([NH:30][CH2:8][CH2:7][C:21]([CH2:29][CH2:9][CH2:10][O:44][C:26]([C@H:19]1[CH2:14][S:46][C@H:25]([C@H:18]2[CH2:13][PH:45][C:24]([c:17]3[cH:5][cH:3][13cH:4][cH:6][c:20]3[NH2:34])=[N:31]2)[NH:32]1)=[O:38])=[O:35])=[O:37])[OH:36]

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:N-desmethyl-pyochelin-PchF metacycM:N-desmethyl-pyochelin-PchF	N-desmethyl-pyochelin-[PchF non-ribosomal peptide synthase]
seed.compound:cpd23230 seedM:cpd23230	CPD-12090 N-desmethyl-pyochelin-PchF
seedM:M_cpd23230	secondary/obsolete/fantasy identifier