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N6-(2,3-dihydsroxybenzoyl)-L-lysyl-[MxcG non-ribosomal peptide synthase]

PropertiesImage
MNX_IDMNXM1563003 Image of MNXM1563003
referencemetacycM:N-23-DHB-Lysyl-MxcG
formulaC27H42N5O12PS*2
global charge0
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+])CCCCNC(=O)c1cccc(O)c1O)C([*])=O
MNX internals
InChI (mnx)InChI=1/C29H48N5O12PS/c1-18(35)21(31-4)16-45-47(43,44)46-17-29(2,3)25(39)27(41)34-13-11-23(37)32-14-15-48-28(42)20(30)9-5-6-12-33-26(40)19-8-7-10-22(36)24(19)38/h7-8,10,20-21,25,31,36,38-39H,5-6,9,11-17,30H2,1-4H3,(H,32,37)(H,33,40)(H,34,41)(H,43,44)/t20-,21-,25-/m0/s1/i1+1,4+1 Image of MNXM1563003
SMILES (mnx)[13CH3:1][C:27]([CH3:2])([CH2:16][O:44][O:45]([OH:41])(=[O:42])[O:43][CH2:15][CH:17]([C:14](=[NH:33])[PH2:47])[CH2:28][SH:48])[C@@H:23]([C:25]([NH:32][CH2:11][CH2:9][C:21]([NH:30][CH2:12][CH2:13][O:46][C:26]([C@H:19]([CH2:7][CH2:3][13CH2:4][CH2:10][NH:31][C:24]([c:18]1[cH:6][cH:5][cH:8][c:20]([NH2:34])[c:22]1[OH:36])=[O:38])[CH3:29])=[O:40])=[O:35])=[O:39])[OH:37]
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
IdentifierDescription

metacyc.compound:N-23-DHB-Lysyl-MxcG
metacycM:N-23-DHB-Lysyl-MxcG
N6-(2,3-dihydsroxybenzoyl)-L-lysyl-[MxcG non-ribosomal peptide synthase]