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CHEBI:234176 - 3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid β-D-Api-(1→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−)

ChEBI IDCHEBI:234176
ChEBI Name3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid β-D-Api-(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-Api-(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@](O)(CO)[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/c1-25-36(76)40(80)51(103-57-44(84)41(81)47(26(2)96-57)99-56-46(86)48(30(74)21-93-56)100-61-53(87)68(91,23-72)24-94-61)59(95-25)105-62(90)69-16-15-63(3,4)17-28(69)27-9-10-33-64(5)13-12-35(65(6,22-71)32(64)11-14-66(33,7)67(27,8)18-34(69)75)98-60-52(104-58-43(83)39(79)38(78)31(19-70)97-58)49(45(85)50(102-60)54(88)89)101-55-42(82)37(77)29(73)20-92-55/h9,22,25-26,28-53,55-61,70,72-87,91H,10-21,23-24H2,1-8H3,(H,88,89)/p-1/t25-,26+,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+,55+,56+,57+,58+,59+,60-,61+,64+,65+,66-,67-,68-,69-/m1/s1
InChIKeyKCYFPZNMQOXMRS-IGMIWYCNSA-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-Api-(1→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−) (CHEBI:234176) 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-Apif-(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-apiofuranosyl-(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-Api-(1→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc esterUniProt
Citations