a (3R)-3-hydroxy-9-methyldecanoyl-[acp]

Properties Image MNX_ID MNXM1133877 reference metacycM:3-Hydroxy-9-Methyldecanoyl-ACPs formula C25H45N3O10PS*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)CCCCCC(C)C)C([*])=O MNX internals InChI (mnx) InChI=1/C27H52N3O10PS/c1-19(2)10-8-7-9-11-21(32)16-24(34)42-15-14-29-23(33)12-13-30-26(36)25(35)27(4,5)18-40-41(37,38)39-17-22(28-6)20(3)31/h19,21-22,25,28,32,35H,7-18H2,1-6H3,(H,29,33)(H,30,36)(H,37,38)/t21-,22+,25+/m1/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[CH2:10][CH2:8][CH2:7][CH2:9][CH2:11][C@H:21]([CH2:16][C:24](=[O:34])[S:42][CH2:15][CH2:14][N:29]=[C:23]([CH2:12][CH2:13][N:30]=[C:26]([C@@H:25]([C:27]([CH3:4])([CH3:5])[CH2:18][O:40][P:41]([OH:37])(=[O:38])[O:39][CH2:17][C@@H:22]([C:20]([13CH3:3])=[O:31])[NH:28][13CH3:6])[OH:35])[OH:36])[OH:33])[OH:32]

Parent-child relations graph

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