a (3R,7Z)-3-hydroxy-hexadec-7-enoyl-[acp]

Properties Image MNX_ID MNXM147903 reference metacycM:3R-7Z-3-hydroxy-hexadec-7-enoyl-ACPs formula C30H53N3O10PS*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)CCC/C=C\CCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C32H60N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-26(37)22-29(39)47-21-20-34-28(38)18-19-35-31(41)30(40)32(3,4)24-45-46(42,43)44-23-27(33-5)25(2)36/h13-14,26-27,30,33,37,40H,6-12,15-24H2,1-5H3,(H,34,38)(H,35,41)(H,42,43)/b14-13-/t26-,27+,30+/m1/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][C@H:26]([CH2:22][C:29](=[O:39])[S:47][CH2:21][CH2:20][N:34]=[C:28]([CH2:18][CH2:19][N:35]=[C:31]([C@@H:30]([C:32]([CH3:3])([CH3:4])[CH2:24][O:45][P:46]([OH:42])(=[O:43])[O:44][CH2:23][C@@H:27]([C:25]([13CH3:2])=[O:36])[NH:33][13CH3:5])[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