a (3R)-3-hydroxy-5-methylhexanoyl-[acp]

Properties Image MNX_ID MNXM1133907 reference metacycM:5-Methyl-3-Hydroxyhexanoyl-ACP formula C21H37N3O10PS*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)CC(C)C)C([*])=O MNX internals InChI (mnx) InChI=1/C23H44N3O10PS/c1-15(2)11-17(28)12-20(30)38-10-9-25-19(29)7-8-26-22(32)21(31)23(4,5)14-36-37(33,34)35-13-18(24-6)16(3)27/h15,17-18,21,24,28,31H,7-14H2,1-6H3,(H,25,29)(H,26,32)(H,33,34)/t17-,18+,21+/m1/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH:15]([CH3:2])[CH2:11][C@H:17]([CH2:12][C:20](=[O:30])[S:38][CH2:10][CH2:9][N:25]=[C:19]([CH2:7][CH2:8][N:26]=[C:22]([C@@H:21]([C:23]([CH3:4])([CH3:5])[CH2:14][O:36][P:37]([OH:33])(=[O:34])[O:35][CH2:13][C@@H:18]([C:16]([13CH3:3])=[O:27])[NH:24][13CH3:6])[OH:31])[OH:32])[OH:29])[OH:28]

Parent-child relations graph

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