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CHEBI:234179 - 3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid β-D-Xyl-(1→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−)

ChEBI IDCHEBI:234179
ChEBI Name3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid 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->4)-alpha-L-Rha-(1->2)-beta-D-Fuc ester(1-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC65H101O32
Net Charge-1
Average Mass1394.491
Monoisotopic Mass1393.62814
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]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/C65H102O32/c1-23-34(70)38(74)43(79)54(87-23)93-48-46(82)49(52(83)84)94-58(51(48)96-56-44(80)39(75)37(73)29(20-66)90-56)91-33-13-14-61(6)30(62(33,7)22-67)12-15-63(8)31(61)11-10-26-27-18-60(4,5)16-17-65(27,32(69)19-64(26,63)9)59(85)97-57-50(40(76)35(71)24(2)88-57)95-55-45(81)41(77)47(25(3)89-55)92-53-42(78)36(72)28(68)21-86-53/h10,22-25,27-51,53-58,66,68-82H,11-21H2,1-9H3,(H,83,84)/p-1/t23-,24+,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+,53-,54-,55-,56-,57-,58+,61-,62-,63+,64+,65+/m0/s1
InChIKeyXLXOEFBDSAIALU-WENOERPUSA-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→4)-α-L-Rha-(1→2)-β-D-Fuc ester(1−) (CHEBI:234179) 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→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→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→4)-α-L-Rha-(1→2)-β-D-Fuc esterUniProt
Citations