a mature peptidoglycan with (L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimelate) tripeptide

Properties Image MNX_ID MNXM148801 reference metacycM:CPD-17987 formula C34H51N6O19* global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]2C3COC(O3)[C@H](NC(C)=O)[C@H]2O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-])C(=O)[O-])O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C35H56N6O19/c1-13(29(47)41-19(33(53)54)9-10-22(45)40-18(32(51)52)8-6-7-17(36)31(49)50)37-30(48)14(2)57-28-24(39-16(4)44)34-56-12-21(59-34)27(28)60-35-23(38-15(3)43)25(46)26(55-5)20(11-42)58-35/h13-14,17-21,23-28,34-35,42,46H,6-12,36H2,1-5H3,(H,37,48)(H,38,43)(H,39,44)(H,40,45)(H,41,47)(H,49,50)(H,51,52)(H,53,54)/t13-,14+,17+,18-,19+,20+,21?,23+,24+,25+,26+,27+,28+,34?,35-/m0/s1/i5+1 SMILES (mnx) [CH3:1][C@@H:13]([C:29](=[N:41][C@H:19]([CH2:9][CH2:10][C:22](=[N:40][C@@H:18]([CH2:8][CH2:6][CH2:7][C@H:17]([C:31](=[O:49])[OH:50])[NH2:36])[C:32](=[O:51])[OH:52])[OH:45])[C:33](=[O:53])[OH:54])[OH:47])[N:37]=[C:30]([C@@H:14]([CH3:2])[O:57][C@@H:28]1[C@@H:24]([N:39]=[C:16]([CH3:4])[OH:44])[CH:34]2[O:56][CH2:12][CH:21]([C@H:27]1[O:60][C@H:35]1[C@H:23]([N:38]=[C:15]([CH3:3])[OH:43])[C@@H:25]([OH:46])[C@H:26]([O:55][13CH3:5])[C@@H:20]([CH2:11][OH:42])[O:58]1)[O:59]2)[OH:48]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0