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CHEBI:234164 - 3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid β-D-Xyl-(1→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−)

ChEBI IDCHEBI:234164
ChEBI Name3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid β-D-Xyl-(1→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−)
Stars
ASCII Name3-O-{beta-D-Xyl-(1->3)-[beta-D-Gal-(1->2)]-beta-D-GlcA}-quillaic acid beta-D-Xyl-(1->3)-beta-D-Xyl-(1->4)-alpha-L-Rha-(1->2)-beta-D-Fuc ester(1-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC69H107O36
Net Charge-1
Average Mass1512.579
Monoisotopic Mass1511.65475
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]6OC[C@@H](O)[C@H](O)[C@H]6O)[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
InChIInChI=1S/C69H108O36/c1-24-36(76)41(81)53(103-59-46(86)42(82)49(25(2)96-59)99-58-48(88)50(30(74)22-94-58)100-56-43(83)37(77)28(72)20-92-56)61(95-24)105-63(91)69-16-15-64(3,4)17-27(69)26-9-10-33-65(5)13-12-35(66(6,23-71)32(65)11-14-67(33,7)68(26,8)18-34(69)75)98-62-54(104-60-45(85)40(80)39(79)31(19-70)97-60)51(47(87)52(102-62)55(89)90)101-57-44(84)38(78)29(73)21-93-57/h9,23-25,27-54,56-62,70,72-88H,10-22H2,1-8H3,(H,89,90)/p-1/t24-,25+,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+,52+,53-,54-,56+,57+,58+,59+,60+,61+,62-,65+,66+,67-,68-,69-/m1/s1
InChIKeyQYEYUNQMZJCTDZ-IKDLZLCPSA-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→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−) (CHEBI:234164) 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→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-Fucp esterSUBMITTER
3-O-{β-D-xylopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranuronosyl}-quillaic acid β-D-xylopyranosyl-(1→3)-β-D-xylopyranosyl-(1→4)-α-L-rhamnopyranosyl-(1→2)-β-D-fucopyranosyl esterSUBMITTER
UniProt Name  Source
3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid β-D-Xyl-(1→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc esterUniProt
Citations