a (3R)-3-hydroxy-6-methylheptanoyl-[acp]

Properties Image MNX_ID MNXM1133872 reference metacycM:3-Hydroxy-6-Methylheptanoyl-ACPs formula C22H39N3O10PS*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)C([*])=O MNX internals InChI (mnx) InChI=1/C24H46N3O10PS/c1-16(2)7-8-18(29)13-21(31)39-12-11-26-20(30)9-10-27-23(33)22(32)24(4,5)15-37-38(34,35)36-14-19(25-6)17(3)28/h16,18-19,22,25,29,32H,7-15H2,1-6H3,(H,26,30)(H,27,33)(H,34,35)/t18-,19+,22+/m1/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[CH2:7][CH2:8][C@H:18]([CH2:13][C:21](=[O:31])[S:39][CH2:12][CH2:11][N:26]=[C:20]([CH2:9][CH2:10][N:27]=[C:23]([C@@H:22]([C:24]([CH3:4])([CH3:5])[CH2:15][O:37][P:38]([OH:34])(=[O:35])[O:36][CH2:14][C@@H:19]([C:17]([13CH3:3])=[O:28])[NH:25][13CH3:6])[OH:32])[OH:33])[OH:30])[OH:29]

Parent-child relations graph

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