leinamycin biosynthesis intermediate 1

Properties Image MNX_ID MNXM1562950 reference metacycM:LNM-biosynthesis-intermediate-1 formula C33H47N5O11PS2*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)CC(=O)CC/C(C)=C/CC(=O)/C=C/C=C\C1=CSC([C@H](C)N)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C35H54N5O11PS2/c1-23(11-13-27(42)10-8-7-9-26-21-54-34(40-26)24(2)36)12-14-28(43)19-31(45)53-18-17-38-30(44)15-16-39-33(47)32(46)35(4,5)22-51-52(48,49)50-20-29(37-6)25(3)41/h7-11,21,24,29,32,37,46H,12-20,22,36H2,1-6H3,(H,38,44)(H,39,47)(H,48,49)/b9-7-,10-8+,23-11+/t24-,29-,32-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[C:23](=[CH:11]\[CH2:13][C:27](/[CH:10]=[CH:8]/[CH:7]=[CH:9]\[C:26]1=[CH:21][S:54][C:34]([C@H:24]([CH3:2])[NH2:36])=[N:40]1)=[O:42])[CH2:12][CH2:14][C:28]([CH2:19][C:31](=[O:45])[S:53][CH2:18][CH2:17][N:38]=[C:30]([CH2:15][CH2:16][N:39]=[C:33]([C@@H:32]([C:35]([CH3:4])([CH3:5])[CH2:22][O:51][P:52]([OH:48])(=[O:49])[O:50][CH2:20][C@@H:29]([C:25]([13CH3:3])=[O:41])[NH:37][13CH3:6])[OH:46])[OH:47])[OH:44])=[O:43]

Parent-child relations graph

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