a (3R)-3-hydroxy-14-methylpentadecanoyl-[acp]

Properties Image MNX_ID MNXM1133870 reference metacycM:3-Hydroxy-14-Methylpentadecanoyl-ACPs formula C30H55N3O10PS*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)CCCCCCCCCCC(C)C)C([*])=O MNX internals InChI (mnx) InChI=1/C32H62N3O10PS/c1-24(2)15-13-11-9-7-8-10-12-14-16-26(37)21-29(39)47-20-19-34-28(38)17-18-35-31(41)30(40)32(4,5)23-45-46(42,43)44-22-27(33-6)25(3)36/h24,26-27,30,33,37,40H,7-23H2,1-6H3,(H,34,38)(H,35,41)(H,42,43)/t26-,27+,30+/m1/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH:24]([CH3:2])[CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][C@H:26]([CH2:21][C:29](=[O:39])[S:47][CH2:20][CH2:19][N:34]=[C:28]([CH2:17][CH2:18][N:35]=[C:31]([C@@H:30]([C:32]([CH3:4])([CH3:5])[CH2:23][O:45][P:46]([OH:42])(=[O:43])[O:44][CH2:22][C@@H:27]([C:25]([13CH3:3])=[O:36])[NH:33][13CH3:6])[OH:40])[OH:41])[OH:38])[OH:37]

Parent-child relations graph

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