a UDP-N-acetylmuramoyl-tripeptide

Properties Image MNX_ID MNXM1134886 reference metacycM:UDP-N-acetylmuramoyl-Tripeptide formula C34H51N7O24P2* global charge -3 mol weight   InChIKey   InChI   SMILES [*][C@H]([NH3+])CCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O)C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C35H57N7O24P2/c1-14(36)6-5-7-18(32(52)53)39-22(45)9-8-19(33(54)55)40-29(50)15(2)37-30(51)16(3)62-28-24(38-17(4)44)34(64-20(12-43)26(28)48)65-68(59,60)66-67(57,58)61-13-21-25(47)27(49)31(63-21)42-11-10-23(46)41-35(42)56/h10-11,14-16,18-21,24-28,31,34,43,47-49H,5-9,12-13,36H2,1-4H3,(H,37,51)(H,38,44)(H,39,45)(H,40,50)(H,52,53)(H,54,55)(H,57,58)(H,59,60)(H,41,46,56)/t14-,15-,16+,18-,19+,20+,21+,24+,25+,26+,27+,28+,31+,34+/m0/s1/i1+1 SMILES (mnx) [13CH3:1][C@@H:14]([CH2:6][CH2:5][CH2:7][C@@H:18]([C:32](=[O:52])[OH:53])[N:39]=[C:22]([CH2:9][CH2:8][C@H:19]([C:33](=[O:54])[OH:55])[N:40]=[C:29]([C@H:15]([CH3:2])[N:37]=[C:30]([C@@H:16]([CH3:3])[O:62][C@@H:28]1[C@@H:24]([N:38]=[C:17]([CH3:4])[OH:44])[C@@H:34]([O:65][P:68]([OH:59])(=[O:60])[O:66][P:67]([OH:57])(=[O:58])[O:61][CH2:13][C@@H:21]2[C@@H:25]([OH:47])[C@@H:27]([OH:49])[C@H:31]([N:42]3[CH:11]=[CH:10][C:23]([OH:46])=[N:41][C:35]3=[O:56])[O:63]2)[O:64][C@H:20]([CH2:12][OH:43])[C@H:26]1[OH:48])[OH:51])[OH:50])[OH:45])[NH2:36]

Parent-child relations graph

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