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CHEBI:234177 - 3-O-{α-L-Rha-(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:234177
ChEBI Name3-O-{α-L-Rha-(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-{alpha-L-Rha-(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
FormulaC70H109O36
Net Charge-1
Average Mass1526.606
Monoisotopic Mass1525.67040
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]3O[C@@H](C)[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/C70H110O36/c1-25-36(76)39(79)43(83)57(95-25)102-50-46(86)51(55(89)90)103-61(53(50)105-59-44(84)40(80)38(78)31(20-71)98-59)99-35-13-14-65(6)32(66(35,7)22-72)12-15-67(8)33(65)11-10-28-29-18-64(4,5)16-17-70(29,34(75)19-68(28,67)9)63(91)106-60-52(41(81)37(77)26(2)96-60)104-58-45(85)42(82)48(27(3)97-58)100-56-47(87)49(30(74)21-93-56)101-62-54(88)69(92,23-73)24-94-62/h10,22,25-27,29-54,56-62,71,73-88,92H,11-21,23-24H2,1-9H3,(H,89,90)/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-,56-,57-,58-,59-,60-,61+,62-,65-,66-,67+,68+,69+,70+/m0/s1
InChIKeyDQOHRKPTQUFMPV-WSFWOFNYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-O-{α-L-Rha-(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:234177) is a monocarboxylic acid anion (CHEBI:35757)
Synonyms  Source
3-O-{α-L-Rhap-(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-{α-L-rhamnopyranosyl-(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-{α-L-Rha-(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