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CHEBI:63678 - [4)-β-D-GlcA-(1→4)-β-D-GlcA2(or 3)Ac-(1→4)-β-D-Glc-(1→4)-[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:63678
ChEBI Name[4)-β-D-GlcA-(1→4)-β-D-GlcA2(or 3)Ac-(1→4)-β-D-Glc-(1→4)-[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)-[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 glucuronate residues, and a side chain of three glucose and one galactose residues. The octasaccharide is modified by two non-stoichiometric O-acetyl groups and one non-stoichiometric hydroxybutanoyl group. Note that the structure shown and its molfile represent only one of the possible substitution patterns.
Last Modified27 October 2021
SubmitterKristian Axelsen
DownloadsMolfile
Formula(C56H84O46)n.H2O
Net Charge-2
Average Mass1511.257
Monoisotopic Mass1510.43504
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](CO)[C@H](O)[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/C56H88O47/c1-11(62)4-20(65)95-40-21(66)14(5-57)91-55(34(40)79)100-41-22(67)15(6-58)90-54(35(41)80)97-37-17(8-60)93-51(30(75)26(37)71)96-36-16(7-59)92-50(29(74)25(36)70)86-10-19-39(32(77)44(49(85)89-19)87-12(2)63)98-52-31(76)27(72)38(18(9-61)94-52)99-56-45(88-13(3)64)33(78)42(46(103-56)48(83)84)101-53-28(73)23(68)24(69)43(102-53)47(81)82/h11,14-19,21-46,49-62,66-80,85H,4-10H2,1-3H3,(H,81,82)(H,83,84)/p-2/t11?,14-,15-,16-,17-,18-,19-,21+,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+,49+,50-,51+,52+,53-,54+,55+,56-/m1/s1
InChIKeyYAFCXNBIWIGWMK-VVRBQWKKSA-L
ChEBI Ontology
Outgoing Relation(s)
[4)-β-D-GlcA-(1→4)-β-D-GlcA2(or 3)Ac-(1→4)-β-D-Glc-(1→4)-[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:63678) is a polysaccharide acid oxoanion (CHEBI:62196)
IUPAC Name 
poly-[4)-β-D-glucopyranuronosyl-(1→4)-2(or 3)-O-acetyl-β-D-glucopyranuronosyl-(1→4)-β-D-glucopyranosyl-(1→4)-[3(or 2)-O-(3-hydroxybutanoyl)-β-D-galactopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2(or 3)-O-acetyl-α-D-glucopyranosyl-(1→]
Synonyms  Source
[4)-β-D-GlcpA-(1→4)-β-D-GlcpA2(or 3)Ac-(1→4)-β-D-Glcp-(1→4)-[β-D-Galp3(or 2)OHb-(1→3)-β-D-Glcp-(1→4)-β-D-Glcp-(1→4)-β-D-Glcp-(1→6)]-α-DGlcp2(or 3)Ac-(1→]nJCBN
[D-GlcA-β-(1→4)-2(or 3)-O-Ac-D-GlcA-β-(1→4)-D-Glc-β-(1→4)-[3(or 2)-O-CH3-CH2CH(OH)C(O)-D-Gal-β-(1→3)-D-Glc-β-(1→4)-D-Glc-β-(1→4)-D-Glc-β-(1→6)]-2(or 3)-O-Ac-D-Glc-α-(1→4)]nChEBI
Citations