[CorL polyketide synthase] intermediate VII

Properties Image MNX_ID MNXM1562821 reference metacycM:CorL-Intermediate-VII formula C28H45N3O9PS*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)CCC/C(C)=C/C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C30H52N3O9PS/c1-8-9-10-12-22(2)13-11-14-23(3)19-27(36)44-18-17-32-26(35)15-16-33-29(38)28(37)30(5,6)21-42-43(39,40)41-20-25(31-7)24(4)34/h8-9,12,19,25,28,31,37H,10-11,13-18,20-21H2,1-7H3,(H,32,35)(H,33,38)(H,39,40)/b9-8+,22-12+,23-19+/t25-,28-/m0/s1/i4+1,7+1 SMILES (mnx) [CH3:1]/[CH:8]=[CH:9]/[CH2:10]/[CH:12]=[C:22](\[CH3:2])[CH2:13][CH2:11][CH2:14]/[C:23]([CH3:3])=[CH:19]/[C:27](=[O:36])[S:44][CH2:18][CH2:17][N:32]=[C:26]([CH2:15][CH2:16][N:33]=[C:29]([C@@H:28]([C:30]([CH3:5])([CH3:6])[CH2:21][O:42][P:43]([OH:39])(=[O:40])[O:41][CH2:20][C@@H:25]([C:24]([13CH3:4])=[O:34])[NH:31][13CH3:7])[OH:37])[OH:38])[OH:35]

Parent-child relations graph

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