a (3R)-3-hydroxypimeloyl-[acp]

Properties Image MNX_ID MNXM1133885 reference metacycM:3R-hydroxy-Pimeloyl-ACPs formula C21H34N3O12PS*2 global charge -2 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)CCCC(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C23H42N3O12PS/c1-15(27)17(24-4)13-37-39(35,36)38-14-23(2,3)21(33)22(34)26-9-8-18(29)25-10-11-40-20(32)12-16(28)6-5-7-19(30)31/h16-17,21,24,28,33H,5-14H2,1-4H3,(H,25,29)(H,26,34)(H,30,31)(H,35,36)/t16-,17+,21+/m1/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:15]([C@H:17]([CH2:13][O:37][P:39]([OH:35])(=[O:36])[O:38][CH2:14][C:23]([CH3:2])([CH3:3])[C@H:21]([C:22](=[N:26][CH2:9][CH2:8][C:18](=[N:25][CH2:10][CH2:11][S:40][C:20]([CH2:12][C@@H:16]([CH2:6][CH2:5][CH2:7][C:19](=[O:30])[OH:31])[OH:28])=[O:32])[OH:29])[OH:34])[OH:33])[NH:24][13CH3:4])=[O:27]

Parent-child relations graph

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