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

N-acetyldemethylphosphinothricinyl-L-alanyl-L-leucyl-[PhsC non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM164946 reference metacycM:AcDMPT-L-Alanyl-L-Leucyl-PhsC formula C29H50N6O14P2S*2 global charge -2 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](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC[PH](=O)[O-])NC(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C31H58N6O14P2S/c1-18(2)15-23(37-27(42)19(3)35-28(43)22(36-21(5)39)10-13-52(46)47)30(45)54-14-12-33-25(40)9-11-34-29(44)26(41)31(6,7)17-51-53(48,49)50-16-24(32-8)20(4)38/h18-19,22-24,26,32,41,52H,9-17H2,1-8H3,(H,33,40)(H,34,44)(H,35,43)(H,36,39)(H,37,42)(H,46,47)(H,48,49)/t19-,22-,23-,24-,26-/m0/s1/i4+1,8+1 SMILES (mnx) [CH3:1][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][13C:8]([CH2:12][CH2:5][CH2:6][O:51][O:49]([O:48]([O:46][C:31]([C@H:30]([CH3:29])[NH:32][O:39]([O:38]([NH:35][NH:36][O:43]([OH:44])=[O:45])[O:40][N:37]([NH2:34])=[O:41])=[O:42])=[NH:33])[O:47][P:52]([PH2:53])[SH:54])=[O:50])=[CH2:14])=[CH2:16])[CH3:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:AcDMPT-L-Alanyl-L-Leucyl-PhsC metacycM:AcDMPT-L-Alanyl-L-Leucyl-PhsC	N-acetyldemethylphosphinothricinyl-L-alanyl-L-leucyl-[PhsC non-ribosomal peptide synthase]
seed.compound:cpd36622 seedM:cpd36622	AcDMPT-L-Alanyl-L-Leucyl-PhsC
seedM:M_cpd36622	secondary/obsolete/fantasy identifier