a (2E)-14-methylpentadec-2-enoyl-[acp]

Properties Image MNX_ID MNXM1133796 reference metacycM:14-Methyl-Pentadec-2-enoyl-ACPs formula C30H53N3O9PS*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/CCCCCCCCCCC(C)C)C([*])=O MNX internals InChI (mnx) InChI=1/C32H60N3O9PS/c1-25(2)17-15-13-11-9-7-8-10-12-14-16-18-29(38)46-22-21-34-28(37)19-20-35-31(40)30(39)32(4,5)24-44-45(41,42)43-23-27(33-6)26(3)36/h16,18,25,27,30,33,39H,7-15,17,19-24H2,1-6H3,(H,34,37)(H,35,40)(H,41,42)/b18-16+/t27-,30-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH:25]([CH3:2])[CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:8][CH2:10][CH2:12][CH2:14]/[CH:16]=[CH:18]/[C:29](=[O:38])[S:46][CH2:22][CH2:21][N:34]=[C:28]([CH2:19][CH2:20][N:35]=[C:31]([C@@H:30]([C:32]([CH3:4])([CH3:5])[CH2:24][O:44][P:45]([OH:41])(=[O:42])[O:43][CH2:23][C@@H:27]([C:26]([13CH3:3])=[O:36])[NH:33][13CH3:6])[OH:39])[OH:40])[OH:37]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0