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CHEBI:63854 - β-L-IdopA2S-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S

ChEBI IDCHEBI:63854
ChEBI Nameβ-L-IdopA2S-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S
Stars
ASCII Namebeta-L-IdopA2S-(1->3)-beta-D-GalpNAc4S-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S
DefinitionAn amino tetrasaccharide comprised of an L-iduronic acid residue, sulfated on O-2, a glucuronic acid residue, and two N-acetylated galactosamine residues, one of which is at the reducing end and both of which are sulfated on O-4. It is an intermediate in the chondroitin sulfate degradation pathway.
Last Modified27 January 2016
SubmitterBijay
DownloadsMolfile
FormulaC28H44N2O32S3
Net Charge0
Average Mass1016.843
Monoisotopic Mass1016.10393
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](OS(=O)(=O)O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)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]1OS(=O)(=O)O
InChIInChI=1S/C28H44N2O32S3/c1-5(33)29-9-17(15(60-63(44,45)46)7(3-31)53-25(9)43)55-27-14(38)13(37)19(22(59-27)24(41)42)57-26-10(30-6(2)34)18(16(8(4-32)54-26)61-64(47,48)49)56-28-21(62-65(50,51)52)12(36)11(35)20(58-28)23(39)40/h7-22,25-28,31-32,35-38,43H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,39,40)(H,41,42)(H,44,45,46)(H,47,48,49)(H,50,51,52)/t7-,8-,9-,10-,11+,12+,13-,14-,15+,16+,17-,18-,19+,20-,21-,22+,25?,26+,27-,28+/m1/s1
InChIKeyHLJZBVARSDTPRH-YJKLHAKQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
β-L-IdopA2S-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:63854) has role mouse metabolite (CHEBI:75771)
β-L-IdopA2S-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:63854) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Names 
2-O-sulfo-β-L-idopyranuronosyl-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranose
(2-O-sulfo-β-L-idopyranosyluronic acid)-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-(β-D-glucopyranosyluronic acid)-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranose
Synonyms  Source
IdoA(S)-GalNAc(S)-GlcA-GalNAc(S)ChEBI
β-L-IdoA2S-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4SChEBI
Manual XrefsDatabases
G13041KEGG GLYCAN