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CHEBI:234168 - 3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid α-L-Rha-(1→2)-β-D-Fuc ester(1−)
| Formula | C59H91O28 |
| Net Charge | -1 |
| Average Mass | 1248.349 |
| Monoisotopic Mass | 1247.57024 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C=O |
| InChI | InChI=1S/C59H92O28/c1-22-32(64)36(68)40(72)49(79-22)85-45-38(70)33(65)23(2)80-51(45)87-53(77)59-16-15-54(3,4)17-25(59)24-9-10-29-55(5)13-12-31(56(6,21-61)28(55)11-14-57(29,7)58(24,8)18-30(59)63)82-52-46(86-50-41(73)37(69)35(67)27(19-60)81-50)43(42(74)44(84-52)47(75)76)83-48-39(71)34(66)26(62)20-78-48/h9,21-23,25-46,48-52,60,62-74H,10-20H2,1-8H3,(H,75,76)/p-1/t22-,23+,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,45+,46+,48-,49-,50-,51-,52+,55-,56-,57+,58+,59+/m0/s1 |
| InChIKey | PQOYVECVHZQKKX-PEPYBECESA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid α-L-Rha-(1→2)-β-D-Fuc ester(1−) (CHEBI:234168) is a monocarboxylic acid anion (CHEBI:35757) |
| Synonyms | Source |
|---|---|
| 3-O-{β-D-Xylp-(1→3)-[β-D-Galp-(1→2)]-β-D-GlcpA}-quillaic acid α-L-Rhap-(1→2)-β-D-Fucp ester | SUBMITTER |
| 3-O-{β-D-xylopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranuronosyl}-quillaic acid α-L-rhamnopyranosyl-(1→2)-β-D-fucopyranosyl ester | SUBMITTER |
| UniProt Name | Source |
|---|---|
| 3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid α-L-Rha-(1→2)-β-D-Fuc ester | UniProt |
| Citations |
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