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CHEBI:234170 - 3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid β-D-Fuc ester(1−)

ChEBI IDCHEBI:234170
ChEBI Name3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid 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-Fuc ester(1-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC53H81O24
Net Charge-1
Average Mass1102.207
Monoisotopic Mass1101.51233
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](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/C53H82O24/c1-21-30(58)33(61)36(64)44(71-21)77-47(69)53-15-14-48(2,3)16-23(53)22-8-9-27-49(4)12-11-29(50(5,20-55)26(49)10-13-51(27,6)52(22,7)17-28(53)57)73-46-41(76-45-37(65)34(62)32(60)25(18-54)72-45)39(38(66)40(75-46)42(67)68)74-43-35(63)31(59)24(56)19-70-43/h8,20-21,23-41,43-46,54,56-66H,9-19H2,1-7H3,(H,67,68)/p-1/t21-,23+,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,43+,44+,45+,46-,49+,50+,51-,52-,53-/m1/s1
InChIKeyCUIIBCJGZMKLOJ-ZEUZCOCPSA-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-Fuc ester(1−) (CHEBI:234170) 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-Fucp esterSUBMITTER
3-O-{β-D-xylopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranuronosyl}-quillaic acid (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-Fuc esterUniProt
Citations