(8E)-3,5,7-trioxo-9-phenylnon-8-enoyl-[chalcome synthase]

Properties Image MNX_ID MNXM743848 reference metacycM:Chalcone-Synthase-Tetraketide formula C29H37N3O12PS*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(=O)CC(=O)/C=C/C1=CC=CC=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C31H44N3O12PS/c1-21(35)26(32-4)19-45-47(43,44)46-20-31(2,3)29(41)30(42)34-13-12-27(39)33-14-15-48-28(40)18-25(38)17-24(37)16-23(36)11-10-22-8-6-5-7-9-22/h5-11,26,29,32,41H,12-20H2,1-4H3,(H,33,39)(H,34,42)(H,43,44)/b11-10+/t26-,29-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:21]([C@H:26]([CH2:19][O:45][P:47]([OH:43])(=[O:44])[O:46][CH2:20][C:31]([CH3:2])([CH3:3])[C@H:29]([C:30](=[N:34][CH2:13][CH2:12][C:27](=[N:33][CH2:14][CH2:15][S:48][C:28]([CH2:18][C:25]([CH2:17][C:24]([CH2:16][C:23](/[CH:11]=[CH:10]/[C:22]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)=[O:36])=[O:37])=[O:38])=[O:40])[OH:39])[OH:42])[OH:41])[NH:32][13CH3:4])=[O:35]

Parent-child relations graph

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