EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C31H50NO26 |
| Net Charge | -1 |
| Average Mass | 852.722 |
| Monoisotopic Mass | 852.26265 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)O[C@@H]2C(=O)[O-])O[C@H](CO)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C31H51NO26/c1-6(36)32-11-16(41)12(37)7(2-33)51-28(11)57-24-17(42)19(44)29(58-25(24)26(47)48)55-23-15(40)9(4-35)53-31(21(23)46)56-22-14(39)8(3-34)52-30(20(22)45)54-10-5-50-27(49)18(43)13(10)38/h7-25,27-31,33-35,37-46,49H,2-5H2,1H3,(H,32,36)(H,47,48)/p-1/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,27-,28-,29-,30+,31+/m1/s1 |
| InChIKey | KYLYHYKJKPGQGF-VSCGYJAQSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(1−) (CHEBI:747401) is a monocarboxylic acid anion (CHEBI:35757) |
| α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(1−) (CHEBI:747401) is conjugate base of α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747400) |
| Incoming Relation(s) |
| α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747400) is conjugate acid of α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(1−) (CHEBI:747401) |