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

ChEBI IDCHEBI:63267
ChEBI Nameβ-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GalpNAc6S(2−)
Stars
ASCII Namebeta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S(2-)
DefinitionA 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.
Last Modified1 December 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H19NO14S
Net Charge-2
Average Mass457.366
Monoisotopic Mass457.05372
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H](O)[C@@H](COS(=O)(=O)[O-])O[C@H]1O
InChIInChI=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
InChIKeyBUJZTFINDCQRGP-MUODBDBBSA-L
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
β-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GalpNAc6SUniProt
Citations