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

Properties Image MNX_ID MNXM1133943 reference metacycM:A-PEPTIDOGLYCAN-MDAP-TRIPEPTIDE formula C34H52N6O20*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[*])[C@H](O)[C@H]2NC(C)=O)[C@H](O[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-])[C@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C36H60N6O20/c1-14(30(49)42-20(34(55)56)10-11-23(47)41-19(33(53)54)9-7-8-18(37)32(51)52)38-31(50)15(2)59-29-25(40-17(4)46)35(58-6)60-22(13-44)28(29)62-36-24(39-16(3)45)26(48)27(57-5)21(12-43)61-36/h14-15,18-22,24-29,35-36,43-44,48H,7-13,37H2,1-6H3,(H,38,50)(H,39,45)(H,40,46)(H,41,47)(H,42,49)(H,51,52)(H,53,54)(H,55,56)/t14-,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,35+,36-/m0/s1/i5+1,6+1 SMILES (mnx) [CH3:1][C@@H:14]([C:30](=[N:42][C@H:20]([CH2:10][CH2:11][C:23](=[N:41][C@@H:19]([CH2:9][CH2:7][CH2:8][C@H:18]([C:32](=[O:51])[OH:52])[NH2:37])[C:33](=[O:53])[OH:54])[OH:47])[C:34](=[O:55])[OH:56])[OH:49])[N:38]=[C:31]([C@@H:15]([CH3:2])[O:59][C@@H:29]1[C@@H:25]([N:40]=[C:17]([CH3:4])[OH:46])[C@H:35]([O:58][13CH3:6])[O:60][C@H:22]([CH2:13][OH:44])[C@H:28]1[O:62][C@H:36]1[C@H:24]([N:39]=[C:16]([CH3:3])[OH:45])[C@@H:26]([OH:48])[C@H:27]([O:57][13CH3:5])[C@@H:21]([CH2:12][OH:43])[O:61]1)[OH:50]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0