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CHEBI:145583 - β-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp

Default Structure
ChEBI IDCHEBI:145583
ChEBI Nameβ-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp
Stars
ASCII Namebeta-D-GlcpA-(1->3)-beta-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Xylp
DefinitionA tetrasaccharide that is β-D-glucopyranuroic acid, attached in sequence to β-D-galactopyranosyl, β-D-galactopyranosyl, and β-D-xylopyranose by (1→3), (1→3), and (1→4) glycosidic linkages, respectively.
Last Modified14 January 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H38O21
Net Charge0
Average Mass650.536
Monoisotopic Mass650.19056
SMILESO=C(O)[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a212h-1b_1-5][a2112h-1b_1-5][a2122A-1b_1-5]/1-2-2-3/a4-b1_b3-c1_c3-d1
InChIInChI=1S/C23H38O21/c24-1-4-8(27)16(14(33)22(39-4)41-6-3-38-20(37)12(31)7(6)26)43-23-15(34)17(9(28)5(2-25)40-23)42-21-13(32)10(29)11(30)18(44-21)19(35)36/h4-18,20-34,37H,1-3H2,(H,35,36)/t4-,5-,6-,7+,8+,9+,10+,11+,12-,13-,14-,15-,16+,17+,18+,20-,21-,22+,23+/m1/s1
InChIKeyCVJRZZONZJLJBT-HBCMPEIHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp (CHEBI:145583) is a glucuronic acids (CHEBI:33886)
β-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp (CHEBI:145583) is a tetrasaccharide (CHEBI:50126)
IUPAC Name 
β-D-glucopyranuronosyl-(1→3)-β-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-xylopyranose
Synonyms  Source
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidIUPAC
GlcA(b1-3)Gal(b1-3)Gal(b1-4)b-XylIUPAC
Manual XrefsDatabases
G00157KEGG GLYCAN
G14371GVGlyTouCan
G14371GVGlyGen