N,N',N'',N'''-tetraacetylchitotetraose

Properties Image MNX_ID MNXM168376 reference chebi:143142 formula C32H54N4O21 global charge 0 mol weight 830.791 InChIKey PFZKWTWCVGDJQC-VNVOTFTJSA-N InChI InChI=1S/C32H54N4O21/c1-9(41)33-17-23(47)26(14(6-38)51-29(17)50)55-31-19(35-11(3)43)25(49)28(16(8-40)53-31)57-32-20(36-12(4)44)24(48)27(15(7-39)54-32)56-30-18(34-10(2)42)22(46)21(45)13(5-37)52-30/h13-32,37-40,45-50H,5-8H2,1-4H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29?,30+,31+,32+/m1/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C32H54N4O21/c1-9(41)33-17-23(47)26(14(6-38)51-29(17)50)55-31-19(35-11(3)43)25(49)28(16(8-40)53-31)57-32-20(36-12(4)44)24(48)27(15(7-39)54-32)56-30-18(34-10(2)42)22(46)21(45)13(5-37)52-30/h13-32,37-40,45-50H,5-8H2,1-4H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29?,30+,31+,32+/m1/s1 SMILES (mnx) [CH3:1][C:9](=[N:33][C@@H:17]1[C@@H:23]([OH:47])[C@H:26]([O:55][C@H:31]2[C@H:19]([N:35]=[C:11]([CH3:3])[OH:43])[C@@H:25]([OH:49])[C@H:28]([O:57][C@H:32]3[C@H:20]([N:36]=[C:12]([CH3:4])[OH:44])[C@@H:24]([OH:48])[C@H:27]([O:56][C@H:30]4[C@H:18]([N:34]=[C:10]([CH3:2])[OH:42])[C@@H:22]([OH:46])[C@H:21]([OH:45])[C@@H:13]([CH2:5][OH:37])[O:52]4)[C@@H:15]([CH2:7][OH:39])[O:54]3)[C@@H:16]([CH2:8][OH:40])[O:53]2)[C@@H:14]([CH2:6][OH:38])[O:51][CH:29]1[OH:50])[OH:41]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0