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

[CorJ polyketide synthase] intermediate I

Properties Image MNX_ID MNXM1562804 reference metacycM:CorJ-Intermediate-I formula C20H32N4O11PS*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=C/NC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C22H39N4O11PS/c1-15(27)16(23-4)13-36-38(33,34)37-14-22(2,3)19(30)20(31)25-10-8-17(28)24-11-12-39-18(29)7-6-9-26-21(32)35-5/h6,9,16,19,23,30H,7-8,10-14H2,1-5H3,(H,24,28)(H,25,31)(H,26,32)(H,33,34)/b9-6+/t16-,19-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:20]([CH3:2])([CH2:13][O:35][O:36]([OH:31])(=[O:32])[O:34][CH2:12][C@H:14]([C:11](=[NH:25])[PH2:38])[CH2:21][SH:39])[C@@H:17]([C:18]([NH:23][CH2:8][CH2:6][C:15]([CH2:22][CH2:9][CH2:10][O:37][C:16]([CH2:5]/[13CH:4]=[CH:7]/[NH:24][C:19](=[O:30])[O:33][CH3:3])=[O:27])=[NH:26])=[O:29])[OH:28]

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-I metacycM:CorJ-Intermediate-I	[CorJ polyketide synthase] intermediate I (3E)-4-[(methoxycarbonyl)amino]but-3-enoyl-[CorJ polyketide synthase]