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

[CorJ polyketide synthase] intermediate II

Properties Image MNX_ID MNXM1562805 reference metacycM:CorJ-Intermediate-II formula C23H38N4O11PS*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)C(C)CC/C=C/NC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C25H45N4O11PS/c1-17(9-7-8-11-29-24(35)38-6)23(34)42-14-13-27-20(31)10-12-28-22(33)21(32)25(3,4)16-40-41(36,37)39-15-19(26-5)18(2)30/h8,11,17,19,21,26,32H,7,9-10,12-16H2,1-6H3,(H,27,31)(H,28,33)(H,29,35)(H,36,37)/b11-8+/t17?,19-,21-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH:16]([CH2:7][13CH2:5]/[CH:6]=[CH:9]\[NH:27][C:22](=[O:33])[O:36][CH3:4])[C:21](=[O:32])[O:40][CH2:12][CH2:11][CH2:25][C:18]([CH2:8][CH2:10][NH:26][C:20]([CH:19]([C:23]([13CH3:2])([CH3:3])[CH2:15][O:38][O:39]([OH:34])(=[O:35])[O:37][CH2:14][C@@H:17]([C:13](=[NH:28])[PH2:41])[CH2:24][SH:42])[OH:30])=[O:31])=[NH:29]

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-II metacycM:CorJ-Intermediate-II	[CorJ polyketide synthase] intermediate II (5E)-6-[(methoxycarbonyl)amino]-2-methylhex-5-enoyl-[CorJ PKS]