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CHEBI:138369 - [4)-β-D-GlcA-(1→4)-β-D-GlcA2(or 3)Ac-(1→4)-β-D-Glc-(1→4)-[(R)-4,6-CH3(COO−)C-β-D-Gal3(or 2)OHb-(1→3)-β-D-Glc-(1→4)-β-D-Glc-(1→4)-β-D-Glc-(1→6)]-α-DGlc2(or 3)Ac-(1→]n

ChEBI IDCHEBI:138369
ChEBI Name[4)-β-D-GlcA-(1→4)-β-D-GlcA2(or 3)Ac-(1→4)-β-D-Glc-(1→4)-[(R)-4,6-CH3(COO−)C-β-D-Gal3(or 2)OHb-(1→3)-β-D-Glc-(1→4)-β-D-Glc-(1→4)-β-D-Glc-(1→6)]-α-DGlc2(or 3)Ac-(1→]n
Stars
ASCII Name[4)-beta-D-GlcA-(1->4)-beta-D-GlcA2(or 3)Ac-(1->4)-beta-D-Glc-(1->4)-[(R)-4,6-CH3(COO(-))C-beta-D-Gal3(or 2)OHb-(1->3)-beta-D-Glc-(1->4)-beta-D-Glc-(1->4)-beta-D-Glc-(1->6)]-alpha-DGlc2(or 3)Ac-(1->]n
DefinitionA branched polysaccharide acid oxoanion comprised of an octasaccharide repeating unit consisting of a backbone of two glucose and two glucuronic acid residues, and a side chain of three glucose and one galactose residues. The octasaccharide is modified by two pyruvyl and one non-stoichiometric O-acetyl group, and one non-stoichiometric hydroxybutanoyl group. Note that the structure shown and its molfile represent only one of the possible substitution patterns.
Last Modified15 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
Formula(C59H85O48)n.H2O
Net Charge-3
Average Mass1580.296
Monoisotopic Mass1579.43324
SMILES[H]O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](OC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](OC(C)=O)[C@@H](O)O[C@@H]4CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H]8CO[C@@](C)(C(=O)[O-])O[C@@H]8[C@H](OC(=O)CC(C)O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)O[C@@H]3CO)O[C@@H]2C(=O)[O-])O[C@@H]1C(=O)[O-]
InChIInChI=1S/C59H90O49/c1-12(64)5-21(67)99-43-35(81)56(98-20-11-90-59(4,58(87)88)108-40(20)43)104-41-22(68)15(6-60)94-55(34(41)80)101-37-17(8-62)96-52(30(76)26(37)72)100-36-16(7-61)95-51(29(75)25(36)71)89-10-19-39(32(78)45(50(86)93-19)91-13(2)65)102-53-31(77)27(73)38(18(9-63)97-53)103-57-46(92-14(3)66)33(79)42(47(107-57)49(84)85)105-54-28(74)23(69)24(70)44(106-54)48(82)83/h12,15-20,22-47,50-57,60-64,68-81,86H,5-11H2,1-4H3,(H,82,83)(H,84,85)(H,87,88)/p-3/t12?,15-,16-,17-,18-,19-,20-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40+,41+,42+,43-,44+,45-,46-,47+,50+,51-,52+,53+,54-,55+,56+,57-,59-/m1/s1
InChIKeyQFIXNMXRCCTKLZ-IEGWRHROSA-K
ChEBI Ontology
Outgoing Relation(s)
[4)-β-D-GlcA-(1→4)-β-D-GlcA2(or 3)Ac-(1→4)-β-D-Glc-(1→4)-[(R)-4,6-CH3(COO−)C-β-D-Gal3(or 2)OHb-(1→3)-β-D-Glc-(1→4)-β-D-Glc-(1→4)-β-D-Glc-(1→6)]-α-DGlc2(or 3)Ac-(1→]n (CHEBI:138369) is a polysaccharide acid oxoanion (CHEBI:62196)
UniProt Name  Source
[4)-β-D-GlcA-(1→4)-2-O-Ac-β-D-GlcA-(1→4)-β-D-Glc-(1→4)-[3-O-(CH3CH(OH)CH2C(O))-(R)-4,6-CH3(COO−)C-β-D-Gal-(1→3)-β-D-Glc-(1→4)-β-D-Glc-(1→4)-β-D-Glc-(1→6)]-2-O-Ac-α-DGlc-(1→]nUniProt