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CHEBI:234182 - 3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid 4-dehydro-6-deoxy-β-D-Glc ester(1−)

ChEBI IDCHEBI:234182
ChEBI Name3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid 4-dehydro-6-deoxy-β-D-Glc ester(1−)
Stars
ASCII Name3-O-{alpha-L-Rha-(1->3)-[beta-D-Gal-(1->2)]-beta-D-GlcA}-quillaic acid 4-dehydro-6-deoxy-beta-D-Glc ester(1-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC54H81O24
Net Charge-1
Average Mass1114.218
Monoisotopic Mass1113.51233
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](C)C(=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]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/C54H82O24/c1-21-30(58)33(61)36(64)44(71-21)75-40-39(67)41(43(68)69)76-47(42(40)77-46-38(66)35(63)32(60)25(19-55)73-46)74-29-12-13-50(5)26(51(29,6)20-56)11-14-52(7)27(50)10-9-23-24-17-49(3,4)15-16-54(24,28(57)18-53(23,52)8)48(70)78-45-37(65)34(62)31(59)22(2)72-45/h9,20-22,24-30,32-42,44-47,55,57-58,60-67H,10-19H2,1-8H3,(H,68,69)/p-1/t21-,22+,24-,25+,26+,27+,28+,29-,30-,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,50-,51-,52+,53+,54+/m0/s1
InChIKeyHGPJBTOTRVAWRJ-YZACUOEYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid 4-dehydro-6-deoxy-β-D-Glc ester(1−) (CHEBI:234182) 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 4-dehydro-6-deoxy-β-D-Glcp esterSUBMITTER
3-O-{α-L-rhamnopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranuronosyl}-quillaic acid 4-dehydro-6-deoxy-β-D-glucopyranosyl esterSUBMITTER
UniProt Name  Source
3-O-{α-L-Rha-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid 4-dehydro-6-deoxy-β-D-Glc esterUniProt
Citations