a 12-methyltridecanoyl-[acp]

Properties Image MNX_ID MNXM1133788 reference metacycM:12-methyltridecanoyl-ACPs formula C28H51N3O9PS*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)CCCCCCCCCCC(C)C)C([*])=O MNX internals InChI (mnx) InChI=1/C30H58N3O9PS/c1-23(2)15-13-11-9-7-8-10-12-14-16-27(36)44-20-19-32-26(35)17-18-33-29(38)28(37)30(4,5)22-42-43(39,40)41-21-25(31-6)24(3)34/h23,25,28,31,37H,7-22H2,1-6H3,(H,32,35)(H,33,38)(H,39,40)/t25-,28-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH:23]([CH3:2])[CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][C:27](=[O:36])[S:44][CH2:20][CH2:19][N:32]=[C:26]([CH2:17][CH2:18][N:33]=[C:29]([C@@H:28]([C:30]([CH3:4])([CH3:5])[CH2:22][O:42][P:43]([OH:39])(=[O:40])[O:41][CH2:21][C@@H:25]([C:24]([13CH3:3])=[O:34])[NH:31][13CH3:6])[OH:37])[OH:38])[OH:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0