CHEBI:63873 - β-D-IdopA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-IdopA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp
ChEBI ID CHEBI:63873
ChEBI ASCII Name beta-D-IdopA-(1->3)-beta-D-GalpNAc4S-(1->4)-beta-D-GlcpA-(1->3)-beta-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Xylp
Definition An amino hexasaccharide comprising an iduronic acid residue, an acetylated galactosamine residue, sulfated on O-4, a glucuronic acid residue, and two galactose residues, linked to a xylose residue at the reducing end. It is an intermediate in the dermatan sulfate degradation pathway.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
Download Molfile XML SDF
Formula C37H59NO35S
Net Charge 0
Average Mass 1109.91500
Monoisotopic Mass 1109.25883
InChI InChI=1S/C37H59NO35S/c1-6(42)38-11-24(67-34-19(50)15(46)16(47)28(71-34)30(54)55)23(73-74(59,60)61)9(4-41)65-33(11)70-27-17(48)20(51)35(72-29(27)31(56)57)68-26-14(45)8(3-40)64-37(22(26)53)69-25-13(44)7(2-39)63-36(21(25)52)66-10-5-62-32(58)18(49)12(10)43/h7-29,32-37,39-41,43-53,58H,2-5H2,1H3,(H,38,42)(H,54,55)(H,56,57)(H,59,60,61)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25+,26+,27+,28+,29+,32-,33+,34-,35-,36+,37+/m1/s1
InChIKey JQNKZLWLZZKAFE-NUBKIDDFSA-N
SMILES CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)O[C@H]1[C@H](O)[C@@H](O)[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)O[C@@H]1C(O)=O
ChEBI Ontology
Outgoing β-D-IdopA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp (CHEBI:63873) is a amino hexasaccharide (CHEBI:61855)
IUPAC Names
(β-D-idopyranosyluronic acid)-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-(β-D-glucopyranosyluronic acid)-(1→3)-β-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-xylopyranose
β-D-idopyranuronosyl-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-β-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-xylopyranose
Synonyms Sources
β-D-IdoA-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl ChEBI
IdoA-GalNAc(4S)-GlcA-Gal-Gal-Xyl ChEBI
Last Modified
22 February 2012