a peptidoglycan internal segment with (L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanine) tetrapeptide

Properties Image MNX_ID MNXM147999 reference metacycM:CPD-17931 formula C37H57N7O21*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)N[C@H](C)C(=O)[O-])C(=O)[O-])[C@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C39H65N7O21/c1-15(32(53)46-22(37(60)61)11-12-25(51)45-21(10-8-9-20(40)36(58)59)34(55)42-16(2)35(56)57)41-33(54)17(3)64-31-27(44-19(5)50)38(63-7)65-24(14-48)30(31)67-39-26(43-18(4)49)28(52)29(62-6)23(13-47)66-39/h15-17,20-24,26-31,38-39,47-48,52H,8-14,40H2,1-7H3,(H,41,54)(H,42,55)(H,43,49)(H,44,50)(H,45,51)(H,46,53)(H,56,57)(H,58,59)(H,60,61)/t15-,16+,17+,20+,21-,22+,23+,24+,26+,27+,28+,29+,30+,31+,38+,39-/m0/s1/i6+1,7+1 SMILES (mnx) [CH3:1][C@@H:15]([C:32](=[N:46][C@H:22]([CH2:11][CH2:12][C:25](=[N:45][C@@H:21]([CH2:10][CH2:8][CH2:9][C@H:20]([C:36](=[O:58])[OH:59])[NH2:40])[C:34](=[N:42][C@H:16]([CH3:2])[C:35](=[O:56])[OH:57])[OH:55])[OH:51])[C:37](=[O:60])[OH:61])[OH:53])[N:41]=[C:33]([C@@H:17]([CH3:3])[O:64][C@@H:31]1[C@@H:27]([N:44]=[C:19]([CH3:5])[OH:50])[C@H:38]([O:63][13CH3:7])[O:65][C@H:24]([CH2:14][OH:48])[C@H:30]1[O:67][C@H:39]1[C@H:26]([N:43]=[C:18]([CH3:4])[OH:49])[C@@H:28]([OH:52])[C@H:29]([O:62][13CH3:6])[C@@H:23]([CH2:13][OH:47])[O:66]1)[OH:54]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0