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

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

Properties Image MNX_ID MNXM164945 reference metacycM:AcDMPT-L-Alanyl-L-Alanyl-PhsC formula C26H44N6O14P2S*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](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/C28H52N6O14P2S/c1-16(32-25(40)20(34-19(4)36)9-12-49(43)44)24(39)33-17(2)27(42)51-13-11-30-22(37)8-10-31-26(41)23(38)28(5,6)15-48-50(45,46)47-14-21(29-7)18(3)35/h16-17,20-21,23,29,38,49H,8-15H2,1-7H3,(H,30,37)(H,31,41)(H,32,40)(H,33,39)(H,34,36)(H,43,44)(H,45,46)/t16-,17-,20-,21-,23-/m0/s1/i3+1,7+1 SMILES (mnx) [CH3:1][C:11]([CH3:2])([13CH2:7][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][13CH2:3][C:8]([CH2:12][CH2:5][CH2:6][S:51][PH:49]([O:48]([O:46][N:31]([N:30]([NH2:29])[NH:32][O:39]([O:38]([O:35][O:36][O:43]([OH:44])=[O:45])[O:40][O:37]([NH2:34])=[O:41])=[O:42])=[NH:33])[OH:47])=[PH: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-Alanyl-PhsC metacycM:AcDMPT-L-Alanyl-L-Alanyl-PhsC	N-acetyldemethylphosphinothricinyl-L-alanyl-L-alanyl-[PhsC non-ribosomal peptide synthase]
seed.compound:cpd36899 seedM:cpd36899	AcDMPT-L-Alanyl-L-Alanyl-PhsC
seedM:M_cpd36899	secondary/obsolete/fantasy identifier