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

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ChEBI Name β-L-IdopA2S-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S
ChEBI ID CHEBI:63854
ChEBI ASCII Name beta-L-IdopA2S-(1->3)-beta-D-GalpNAc4S-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
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Formula C28H44N2O32S3
Net Charge 0
Average Mass 1016.83800
Monoisotopic Mass 1016.10393
InChI InChI=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
InChIKey HLJZBVARSDTPRH-YJKLHAKQSA-N
SMILES CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@H](OS(O)(=O)=O)[C@H](O[C@H]3O[C@H]([C@@H](O)[C@H](O)[C@H]3OS(O)(=O)=O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-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
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
Synonyms Sources
β-L-IdoA2S-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S ChEBI
IdoA(S)-GalNAc(S)-GlcA-GalNAc(S) ChEBI
Manual Xref Database
G13041 KEGG GLYCAN
View more database links
Last Modified
27 January 2016