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CHEBI:234165 - 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-Qui-(1→4)]-β-D-Fuc} ester(1−)

ChEBI IDCHEBI:234165
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-Qui-(1→4)]-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-Qui-(1->4)]-beta-D-Fuc} ester(1-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC75H117O40
Net Charge-1
Average Mass1658.721
Monoisotopic Mass1657.71266
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]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[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/C75H118O40/c1-25-38(82)42(86)47(91)64(103-25)109-54-27(3)105-67(58(50(54)94)113-65-49(93)44(88)53(26(2)104-65)108-63-52(96)55(32(80)23-102-63)110-61-45(89)39(83)30(78)21-100-61)115-69(99)75-17-16-70(4,5)18-29(75)28-10-11-35-71(6)14-13-37(72(7,24-77)34(71)12-15-73(35,8)74(28,9)19-36(75)81)107-68-59(114-66-48(92)43(87)41(85)33(20-76)106-66)56(51(95)57(112-68)60(97)98)111-62-46(90)40(84)31(79)22-101-62/h10,24-27,29-59,61-68,76,78-96H,11-23H2,1-9H3,(H,97,98)/p-1/t25-,26+,27-,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+,55+,56+,57+,58-,59-,61+,62+,63+,64+,65+,66+,67+,68-,71+,72+,73-,74-,75-/m1/s1
InChIKeyBLPOVXSGMJKRIA-QFNMSBMFSA-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-Qui-(1→4)]-β-D-Fuc} ester(1−) (CHEBI:234165) 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-Quip-(1→4)]-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-quinovopyranosyl-(1→4)]-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-Qui-(1→4)]-β-D-Fuc} esterUniProt
Citations