a (3R,14S)-3-hydroxy-14-methylhexadecanoyl-[acp]

Properties Image MNX_ID MNXM1133869 reference metacycM:3-Hydroxy-14-Methylhexadecanoyl-ACPs formula C31H57N3O10PS*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)CCCCCCCCCC[C@@H](C)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C33H64N3O10PS/c1-7-25(2)16-14-12-10-8-9-11-13-15-17-27(38)22-30(40)48-21-20-35-29(39)18-19-36-32(42)31(41)33(4,5)24-46-47(43,44)45-23-28(34-6)26(3)37/h25,27-28,31,34,38,41H,7-24H2,1-6H3,(H,35,39)(H,36,42)(H,43,44)/t25-,27+,28-,31-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][C@H:25]([CH3:2])[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][C@H:27]([CH2:22][C:30](=[O:40])[S:48][CH2:21][CH2:20][N:35]=[C:29]([CH2:18][CH2:19][N:36]=[C:32]([C@@H:31]([C:33]([CH3:4])([CH3:5])[CH2:24][O:46][P:47]([OH:43])(=[O:44])[O:45][CH2:23][C@@H:28]([C:26]([13CH3:3])=[O:37])[NH:34][13CH3:6])[OH:41])[OH:42])[OH:39])[OH:38]

Parent-child relations graph

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