alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc

Properties Image Occurences in reactions MNX_ID MNXM102603 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C53H88N4O39 charge 0 mass 1404.50257 reference chebi:71664 InChIKey PRGHSAXSQGMLMV-YQNRVFQDSA-N InChI InChI=1S/C53H88N4O39/c1-13(65)54-25-17(69)5-53(52(82)83,95-42(25)29(71)18(70)6-58)96-45-32(74)21(9-61)87-51(38(45)80)92-41-24(12-64)89-48(28(35(41)77)57-16(4)68)94-44-31(73)20(8-60)86-50(37(44)79)91-40-23(11-63)88-47(27(34(40)76)56-15(3)67)93-43-30(72)19(7-59)85-49(36(43)78)90-39-22(10-62)84-46(81)26(33(39)75)55-14(2)66/h17-51,58-64,69-81H,5-12H2,1-4H3,(H,54,65)(H,55,66)(H,56,67)(H,57,68)(H,82,83)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46+,47-,48-,49-,50-,51-,53-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]5O)[C@@H]4O)[C@H](NC(C)=O)[C@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph