CHEBI:63267 - β-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GalpNAc6S(2−)

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ChEBI Name β-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GalpNAc6S(2−)
ChEBI ID CHEBI:63267
ChEBI ASCII Name beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S(2-)
Definition A 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−) in which the galactose moiety has β-configuration at the anomeric centre.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H19NO14S
Net Charge -2
Average Mass 457.36400
Monoisotopic Mass 457.05372
InChI InChI=1S/C14H21NO14S/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)/p-2/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1
InChIKey BUJZTFINDCQRGP-MUODBDBBSA-L
SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](COS([O-])(=O)=O)[C@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C([O-])=O
ChEBI Ontology
Outgoing β-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GalpNAc6S(2−) (CHEBI:63267) is a 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−) (CHEBI:57878)
β-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GalpNAc6S(2−) (CHEBI:63267) is conjugate base of 4-deoxy-Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266)
Incoming 4-deoxy-Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266) is conjugate acid of β-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GalpNAc6S(2−) (CHEBI:63267)
IUPAC Name
2-acetamido-2-deoxy-6-O-sulfonato-β-D-galactopyranos-3-O-yl 4-deoxy-α-L-threo-hex-4-enopyranuronate
Synonym Source
β-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GalpNAc6S UniProt
Citation Waiting for Citations Type Source
19416976 PubMed citation Europe PMC
Last Modified
01 December 2011