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CHEBI:85898 - β-D-GlcpA3S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp

ChEBI IDCHEBI:85898
ChEBI Nameβ-D-GlcpA3S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp
Stars
ASCII Namebeta-D-GlcpA3S-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp
DefinitionAn amino pentasacchride comprising a chain of 3-O-sulfo-β-D-glucuronic acid, β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose and D-glucose residues linked sequentially (1→3), (1→4), (1→3) and (1→4).
Last Modified26 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC32H53NO30S
Net Charge0
Average Mass963.820
Monoisotopic Mass963.23731
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]3O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C32H53NO30S/c1-6(38)33-11-14(41)21(58-30-19(46)24(13(40)8(3-35)55-30)61-32-20(47)25(63-64(51,52)53)17(44)26(62-32)27(48)49)10(5-37)57-29(11)60-23-12(39)7(2-34)56-31(18(23)45)59-22-9(4-36)54-28(50)16(43)15(22)42/h7-26,28-32,34-37,39-47,50H,2-5H2,1H3,(H,33,38)(H,48,49)(H,51,52,53)/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17+,18-,19-,20-,21-,22-,23+,24+,25+,26+,28?,29+,30+,31+,32-/m1/s1
InChIKeyVIVUJPODHPRKHY-PNJULGLWSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA3S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:85898) is a amino pentasaccharide (CHEBI:59268)
β-D-GlcpA3S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:85898) is a glucosamine oligosaccharide (CHEBI:22485)
β-D-GlcpA3S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:85898) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
3-O-sulfo-β-D-glucopyranuronosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Synonyms  Source
β-D-GlcA3S-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-GlcChEBI
3-O-sulfo-β-D-glucuronosyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-D-glucoseChEBI
(3S)GlcAβ1-3Galβ1-4GlcNAc1-3Galβ1-4GlcChEBI
(3S)GlcAb1-3Galb1-4GlcNAcb1-3Galb1-4GlcChEBI
O-3-O-sulfo-β-D-glucopyranuronosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucopyranoseChEBI
Citations