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

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\c1csc([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:22](=[CH:9]/[CH2:11][C:26](/[CH:8]=[13CH:6]/[CH:5]=[CH:7]\[c:25]1[cH:20][pH:52][c:32]([C@@H:23]([CH3:2])[CH3:34])[n:38]1)=[NH:40])[CH2:10][CH2:12][C:27]([CH2:17][C:29](=[O:43])[O:51][CH2:16][CH2:15][NH:36][C:28]([CH2:13][CH2:14][NH:37][C:31]([C@H:30]([C:33]([13CH3:3])([CH3:4])[CH2:21][O:49][O:50]([OH:46])(=[O:47])[O:48][CH2:19][C@@H:24]([C:18](=[NH:39])[SH:53])[CH2:35][SH:54])[OH:44])=[O:45])=[O:42])=[O:41]

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:LNM-biosynthesis-intermediate-1 metacycM:LNM-biosynthesis-intermediate-1	leinamycin biosynthesis intermediate 1 (6E,10E,12Z)-13-{2-[(1S)-1-aminoethyl]-1,3-thiazol-4-yl}-6-methyl-3,9-dioxotrideca-6,10,12-trienoyl-[LnmJ polyketide synthase]