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

[CorJ polyketide synthase] intermediate III

Properties Image MNX_ID MNXM1562806 reference metacycM:CorJ-Intermediate-III formula C25H40N4O12PS*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)C(C)CC/C=C/NC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C27H47N4O12PS/c1-18(9-7-8-11-31-26(38)41-6)21(33)15-23(35)45-14-13-29-22(34)10-12-30-25(37)24(36)27(3,4)17-43-44(39,40)42-16-20(28-5)19(2)32/h8,11,18,20,24,28,36H,7,9-10,12-17H2,1-6H3,(H,29,34)(H,30,37)(H,31,38)(H,39,40)/b11-8+/t18?,20-,24-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH:17]([CH2:7][13CH2:5]/[CH:6]=[CH:9]\[NH:29][C:24](=[O:36])[O:39][CH3:4])[C:19]([CH2:13][C:21](=[O:33])[O:43][CH2:12][CH2:11][CH2:27][C:20]([CH2:8][CH2:10][NH:28][C:23]([C@H:22]([C:25]([13CH3:2])([CH3:3])[CH2:16][O:41][O:42]([OH:37])(=[O:38])[O:40][CH2:15][C@@H:18]([C:14](=[NH:30])[PH2:44])[CH2:26][SH:45])[OH:34])=[O:35])=[O:32])=[NH:31]

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:CorJ-Intermediate-III metacycM:CorJ-Intermediate-III	[CorJ polyketide synthase] intermediate III (7E)-8-[(methoxycarbonyl)amino]-4-methyl-3-oxooct-7-enoyl-[CorJ PKS]