an N-acetyl-D-glucosamine-(anhydrous)-N-acetylmuramoyl-tetrapeptide

Properties Image MNX_ID MNXM739016 reference metacycM:CPD0-2292 formula C36H57N7O18* global charge -1 mol weight   InChIKey   InChI   SMILES [*]C([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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)C2COC(O2)[C@@H]1NC(C)=O)C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C37H61N7O18/c1-14(38)8-7-9-20(33(53)40-16(3)34(54)55)43-24(48)11-10-21(35(56)57)44-31(51)15(2)39-32(52)17(4)59-30-26(42-19(6)47)36-58-13-23(61-36)29(30)62-37-25(41-18(5)46)28(50)27(49)22(12-45)60-37/h14-17,20-23,25-30,36-37,45,49-50H,7-13,38H2,1-6H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)/t14?,15-,16+,17+,20-,21+,22+,23?,25+,26+,27+,28+,29+,30+,36?,37-/m0/s1/i1+1 SMILES (mnx) [13CH3:1][CH:14]([CH2:8][CH2:7][CH2:9][C@@H:20]([C:33](=[N:40][C@H:16]([CH3:3])[C:34](=[O:54])[OH:55])[OH:53])[N:43]=[C:24]([CH2:11][CH2:10][C@H:21]([C:35](=[O:56])[OH:57])[N:44]=[C:31]([C@H:15]([CH3:2])[N:39]=[C:32]([C@@H:17]([CH3:4])[O:59][C@@H:30]1[C@@H:26]([N:42]=[C:19]([CH3:6])[OH:47])[CH:36]2[O:58][CH2:13][CH:23]([C@H:29]1[O:62][C@H:37]1[C@H:25]([N:41]=[C:18]([CH3:5])[OH:46])[C@@H:28]([OH:50])[C@H:27]([OH:49])[C@@H:22]([CH2:12][OH:45])[O:60]1)[O:61]2)[OH:52])[OH:51])[OH:48])[NH2:38]

Parent-child relations graph

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