a mature peptidoglycan with (L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-glycine) tetrapeptide

Properties Image MNX_ID MNXM166795 reference metacycM:CPD-18809 formula C36H54N7O20* 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)NCC(=O)[O-])C(=O)[O-])O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C37H59N7O20/c1-14(31(52)44-20(35(57)58)9-10-23(48)43-19(33(54)39-11-24(49)50)8-6-7-18(38)34(55)56)40-32(53)15(2)61-30-26(42-17(4)47)36-60-13-22(63-36)29(30)64-37-25(41-16(3)46)27(51)28(59-5)21(12-45)62-37/h14-15,18-22,25-30,36-37,45,51H,6-13,38H2,1-5H3,(H,39,54)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,52)(H,49,50)(H,55,56)(H,57,58)/t14-,15+,18+,19-,20+,21+,22?,25+,26+,27+,28+,29+,30+,36?,37-/m0/s1/i5+1 SMILES (mnx) [CH3:1][C@@H:14]([C:31](=[N:44][C@H:20]([CH2:9][CH2:10][C:23](=[N:43][C@@H:19]([CH2:8][CH2:6][CH2:7][C@H:18]([C:34](=[O:55])[OH:56])[NH2:38])[C:33](=[N:39][CH2:11][C:24](=[O:49])[OH:50])[OH:54])[OH:48])[C:35](=[O:57])[OH:58])[OH:52])[N:40]=[C:32]([C@@H:15]([CH3:2])[O:61][C@@H:30]1[C@@H:26]([N:42]=[C:17]([CH3:4])[OH:47])[CH:36]2[O:60][CH2:13][CH:22]([C@H:29]1[O:64][C@H:37]1[C@H:25]([N:41]=[C:16]([CH3:3])[OH:46])[C@@H:27]([OH:51])[C@H:28]([O:59][13CH3:5])[C@@H:21]([CH2:12][OH:45])[O:62]1)[O:63]2)[OH:53]

Parent-child relations graph

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