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CHEBI:234178 - 3-O-{α-L-Rha-(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:234178
ChEBI Name3-O-{α-L-Rha-(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-{alpha-L-Rha-(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
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@@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]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/c1-24-36(76)40(80)45(85)59(95-24)102-52-48(88)53(56(90)91)103-63(55(52)105-61-46(86)41(81)39(79)31(20-71)98-61)99-35-13-14-66(6)32(67(35,7)23-72)12-15-68(8)33(66)11-10-27-28-18-65(4,5)16-17-70(28,34(75)19-69(27,68)9)64(92)106-62-54(42(82)37(77)25(2)96-62)104-60-47(87)43(83)50(26(3)97-60)100-58-49(89)51(30(74)22-94-58)101-57-44(84)38(78)29(73)21-93-57/h10,23-26,28-55,57-63,71,73-89H,11-22H2,1-9H3,(H,90,91)/p-1/t24-,25+,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-,54+,55+,57-,58-,59-,60-,61-,62-,63+,66-,67-,68+,69+,70+/m0/s1
InChIKeyBFXJSLVNKNCOJG-POELQROXSA-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-Xyl-(1→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−) (CHEBI:234178) 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-Xylp-(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-xylopyranosyl-(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-Xyl-(1→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc esterUniProt
Citations