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

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

Properties Image MNX_ID MNXM163856 reference metacycM:AcDMPT-L-Alanyl-PhsB formula C23H39N5O13P2S*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](CC[PH](=O)[O-])NC(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C25H47N5O13P2S/c1-15(29-22(35)18(30-17(3)32)8-11-44(38)39)24(37)46-12-10-27-20(33)7-9-28-23(36)21(34)25(4,5)14-43-45(40,41)42-13-19(26-6)16(2)31/h15,18-19,21,26,34,44H,7-14H2,1-6H3,(H,27,33)(H,28,36)(H,29,35)(H,30,32)(H,38,39)(H,40,41)/t15-,18-,19-,21-/m0/s1/i2+1,6+1 SMILES (mnx) [CH3:1][C:11]([13CH3:2])([CH2:7][CH2:17][C:18]([NH:27][CH2:20][C@@H:21]([C:22]([CH3:23])=[CH2:25])[CH2:24][NH2:26])([NH2:28])=[NH:29])[C@H:9]([C:10]([CH2:13][CH2:4][CH2:3][C:8]([CH2:12][CH2:5][13CH2:6][CH2:19][O:32]([O:31]([NH2:30])[O:33][O:40]([O:39]([O:36][O:37][PH:44]([PH2:45])=[S:46])[O:41][O:38]([OH:35])=[O:42])=[O:43])=[O:34])=[CH2:14])=[CH2:16])[CH3:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:AcDMPT-L-Alanyl-PhsB metacycM:AcDMPT-L-Alanyl-PhsB	N-acetyldemethylphosphinothricinyl-L-alanyl-[PhsB non-ribosomal peptide synthase]
seed.compound:cpd36998 seedM:cpd36998	AcDMPT-L-Alanyl-PhsB
seedM:M_cpd36998	secondary/obsolete/fantasy identifier