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CHEBI:145624 - β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc

ChEBI IDCHEBI:145624
ChEBI Nameβ-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNAc
DefinitionA β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-D-GlcpNAc in which the carbon bearing the anomeric hydroxy group has β configuration.
Last Modified19 December 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H36N2O17
Net Charge0
Average Mass600.527
Monoisotopic Mass600.20140
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C22H36N2O17/c1-5(27)23-9-13(31)11(29)7(3-25)38-21(9)40-17-14(32)15(33)22(41-18(17)19(34)35)39-16-10(24-6(2)28)20(36)37-8(4-26)12(16)30/h7-18,20-22,25-26,29-33,36H,3-4H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,20-,21+,22-/m1/s1
InChIKeyAFEUFAVYWMAMHL-PQHYAFJDSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-GlcpNAc (CHEBI:145624) is a β-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-D-GlcpNAc (CHEBI:64025)
IUPAC Name 
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acidIUPAC
GlcNAc(b1-4)GlcA(b1-3)b-GlcNAcIUPAC
Manual XrefsDatabases
G63629SOGlyTouCan
G63629SOGlyGen