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

an N-3-(R,R)-epoxysuccinamoyl-(S)-2,3-diaminopropanoyl-[DdaD non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM164541 reference metacycM:N-3-epoxysuccinamoyl-DAP-DdaD formula C21H35N6O12PS*2 global charge 0 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]([NH3+])CNC(=O)[C@@H]1O[C@H]1C(N)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C23H41N6O12PS/c1-12(30)14(26-4)10-39-42(37,38)40-11-23(2,3)18(32)21(35)28-6-5-15(31)27-7-8-43-22(36)13(24)9-29-20(34)17-16(41-17)19(25)33/h13-14,16-18,26,32H,5-11,24H2,1-4H3,(H2,25,33)(H,27,31)(H,28,35)(H,29,34)(H,37,38)/t13-,14-,16+,17+,18-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:11]([CH3:2])([CH2:7][CH2:17][C:18]([NH:27][CH2:20][CH:21]([C:22]([CH3:23])=[NH:25])[NH:24][NH2:26])([NH2:28])=[NH:29])[C@H:9]([C:10]([CH2:13][13CH2:4][CH2:3][C:8]([CH2:12][CH2:5][CH2:6][CH2:19][O:36]([O:31]([O:30][O:39][O:35]([O:33]1[O:32]([O:34]([OH:38])=[O:40])[S:43]1)=[O:41])[OH:37])=[PH:42])=[CH2:14])=[CH2:16])[CH3:15]

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-3-epoxysuccinamoyl-DAP-DdaD metacycM:N-3-epoxysuccinamoyl-DAP-DdaD	an N-3-(R,R)-epoxysuccinamoyl-(S)-2,3-diaminopropanoyl-[DdaD non-ribosomal peptide synthase]