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CHEBI:234167 - 3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−)
| Formula | C64H99O32 |
| Net Charge | -1 |
| Average Mass | 1380.464 |
| Monoisotopic Mass | 1379.61249 |
| 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]5OC[C@@H](O)[C@H](O)[C@H]5O)[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/C64H100O32/c1-23-34(70)39(75)49(94-54-44(80)40(76)46(24(2)88-54)91-52-41(77)35(71)27(67)20-85-52)56(87-23)96-58(84)64-16-15-59(3,4)17-26(64)25-9-10-31-60(5)13-12-33(61(6,22-66)30(60)11-14-62(31,7)63(25,8)18-32(64)69)90-57-50(95-55-43(79)38(74)37(73)29(19-65)89-55)47(45(81)48(93-57)51(82)83)92-53-42(78)36(72)28(68)21-86-53/h9,22-24,26-50,52-57,65,67-81H,10-21H2,1-8H3,(H,82,83)/p-1/t23-,24+,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-,52+,53+,54+,55+,56+,57-,60+,61+,62-,63-,64-/m1/s1 |
| InChIKey | KCNPQSCMQJNUQB-OQVFFQMRSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−) (CHEBI:234167) 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 β-D-Xylp-(1→4)-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 β-D-xylopyranosyl-(1→4)-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 β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester | UniProt |
| Citations |
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