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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

ChEBI IDCHEBI:63873
ChEBI Nameβ-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
Stars
ASCII Namebeta-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
DefinitionAn 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.
Last Modified22 February 2012
SubmitterBijay
DownloadsMolfile
FormulaC37H59NO35S
Net Charge0
Average Mass1109.918
Monoisotopic Mass1109.25883
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)O[C@@H]2C(=O)O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyJQNKZLWLZZKAFE-NUBKIDDFSA-N
ChEBI Ontology
Outgoing Relation(s)
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-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
(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
Synonyms  Source
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-XylChEBI
IdoA-GalNAc(4S)-GlcA-Gal-Gal-XylChEBI