aparatoxin intermediate-[non-ribosomal peptide synthase AprH]

Properties Image MNX_ID MNXM1562720 reference metacycM:Apratoxin-Intermediate-AprH formula C30H52N4O11PS2*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)C1CSC([C@@H](C)[C@@H](O)C[C@H](C)C[C@H](O)C(C)(C)C)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C32H59N4O11PS2/c1-19(15-25(39)31(4,5)6)14-24(38)20(2)29-36-23(17-50-29)30(43)49-13-12-34-26(40)10-11-35-28(42)27(41)32(7,8)18-47-48(44,45)46-16-22(33-9)21(3)37/h19-20,22-25,27,33,38-39,41H,10-18H2,1-9H3,(H,34,40)(H,35,42)(H,44,45)/t19-,20-,22-,23?,24-,25-,27-/m0/s1/i3+1,9+1 SMILES (mnx) [CH3:1][C@@H:19]([CH2:14][C@@H:24]([C@H:20]([CH3:2])[C:29]1=[N:36][CH:23]([C:30](=[O:43])[S:49][CH2:13][CH2:12][N:34]=[C:26]([CH2:10][CH2:11][N:35]=[C:28]([C@@H:27]([C:32]([CH3:7])([CH3:8])[CH2:18][O:47][P:48]([OH:44])(=[O:45])[O:46][CH2:16][C@@H:22]([C:21]([13CH3:3])=[O:37])[NH:33][13CH3:9])[OH:41])[OH:42])[OH:40])[CH2:17][S:50]1)[OH:38])[CH2:15][C@@H:25]([C:31]([CH3:4])([CH3:5])[CH3:6])[OH:39]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0