CHEBI:63868 - 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-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp
ChEBI ID CHEBI:63868
ChEBI ASCII Name 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 pentasaccharide comprising an N-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 chondroitin sulfate degradation pathway.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
Download Molfile XML SDF
Formula C31H51NO29S
Net Charge 0
Average Mass 933.79100
Monoisotopic Mass 933.22675
InChI InChI=1S/C31H51NO29S/c1-6(36)32-11-15(40)21(61-62(49,50)51)9(4-35)55-28(11)59-24-16(41)18(43)29(60-25(24)26(46)47)57-23-14(39)8(3-34)54-31(20(23)45)58-22-13(38)7(2-33)53-30(19(22)44)56-10-5-52-27(48)17(42)12(10)37/h7-25,27-31,33-35,37-45,48H,2-5H2,1H3,(H,32,36)(H,46,47)(H,49,50,51)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,27-,28+,29-,30+,31+/m1/s1
InChIKey ZNBOJJOEYJISSS-JSLCZPDWSA-N
SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS(O)(=O)=O)[C@@H](CO)O[C@H]1O[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-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp (CHEBI:63868) is a amino pentasaccharide (CHEBI:59268)
IUPAC Names
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
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-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl
Synonym Source
GalNAc(4-S)-GlcA-Gal-Gal-Xyl ChEBI
Last Modified
22 February 2012