[CorL polyketide synthase] intermediate I

Properties Image MNX_ID MNXM1562814 reference metacycM:CorL-Intermediate-I formula C25H41N3O10PS*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@@H](O)C/C(C)=C/C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C27H48N3O10PS/c1-7-8-9-10-19(2)15-21(32)16-24(34)42-14-13-29-23(33)11-12-30-26(36)25(35)27(4,5)18-40-41(37,38)39-17-22(28-6)20(3)31/h7-8,10,21-22,25,28,32,35H,9,11-18H2,1-6H3,(H,29,33)(H,30,36)(H,37,38)/b8-7+,19-10+/t21-,22-,25-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:7]=[CH:8]/[CH2:9]/[CH:10]=[C:19](\[CH3:2])[CH2:15][C@@H:21]([CH2:16][C:24](=[O:34])[S:42][CH2:14][CH2:13][N:29]=[C:23]([CH2:11][CH2:12][N:30]=[C:26]([C@@H:25]([C:27]([CH3:4])([CH3:5])[CH2:18][O:40][P:41]([OH:37])(=[O:38])[O:39][CH2:17][C@@H:22]([C:20]([13CH3:3])=[O:31])[NH:28][13CH3:6])[OH:35])[OH:36])[OH:33])[OH:32]

Parent-child relations graph

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