myristoyl-D-asparaginyl-butan-2-aminyl-malonyl-1-aminocyclopropane-1-carboxyl-acetyl-glycyl-[ClbJ non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1134034 reference metacycM:C14-N-but-mal-Cyclo-Ac-G-ClbJ-NRPS formula C47H78N8O16PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CNC(=O)CC(=O)C1(NC(=O)CC(=O)CC[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)CCCCCCCCCCCCC)CC1)C([*])=O MNX internals InChI (mnx) InChI=1/C49H85N8O16PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-41(63)56-36(28-39(50)61)46(68)55-33(2)19-20-35(59)27-43(65)57-49(22-23-49)38(60)29-42(64)54-30-44(66)75-26-25-52-40(62)21-24-53-47(69)45(67)48(4,5)32-73-74(70,71)72-31-37(51-6)34(3)58/h33,36-37,45,51,67H,7-32H2,1-6H3,(H2,50,61)(H,52,62)(H,53,69)(H,54,64)(H,55,68)(H,56,63)(H,57,65)(H,70,71)/t33-,36+,37-,45-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:41](=[N:56][C@H:36]([CH2:28][C:39](=[NH:50])[OH:61])[C:46](=[N:55][C@@H:33]([CH3:2])[CH2:19][CH2:20][C:35]([CH2:27][C:43](=[N:57][C:49]1([C:38]([CH2:29][C:42](=[N:54][CH2:30][C:44](=[O:66])[S:75][CH2:26][CH2:25][N:52]=[C:40]([CH2:21][CH2:24][N:53]=[C:47]([C@@H:45]([C:48]([CH3:4])([CH3:5])[CH2:32][O:73][P:74]([OH:70])(=[O:71])[O:72][CH2:31][C@@H:37]([C:34]([13CH3:3])=[O:58])[NH:51][13CH3:6])[OH:67])[OH:69])[OH:62])[OH:64])=[O:60])[CH2:22][CH2:23]1)[OH:65])=[O:59])[OH:68])[OH:63]

Parent-child relations graph

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