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CHEBI:63274 - 4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc(2−)

ChEBI IDCHEBI:63274
ChEBI Name4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc(2−)
Stars
ASCII Name4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc(2-)
DefinitionA organosulfate oxoanion and monocarboxylic acid anion that results from the removal of a proton from both the carboxy group and the sulfate group of 4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc. The major species at pH 7.3.
Last Modified11 January 2012
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]2OS(=O)(=O)[O-])[C@@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C14H21NO14S/c1-4(17)15-8-11(9(19)7(3-16)26-13(8)22)28-14-10(29-30(23,24)25)5(18)2-6(27-14)12(20)21/h2,5,7-11,13-14,16,18-19,22H,3H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)/p-2/t5-,7+,8+,9-,10+,11+,13+,14-/m0/s1
InChIKeyZEUCJYOQJTZLFJ-RBCDGZSOSA-L
ChEBI Ontology
Outgoing Relation(s)
4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc(2−) (CHEBI:63274) is a carbohydrate acid derivative anion (CHEBI:63551)
4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc(2−) (CHEBI:63274) is a monocarboxylic acid anion (CHEBI:35757)
4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc(2−) (CHEBI:63274) is a organosulfate oxoanion (CHEBI:58958)
4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc(2−) (CHEBI:63274) is conjugate base of 4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc (CHEBI:63271)
Incoming Relation(s)
4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc (CHEBI:63271) is conjugate acid of 4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc(2−) (CHEBI:63274)
IUPAC Name 
2-acetamido-2-deoxy-3-O-(4-deoxy-2-O-sulfonato-α-L-threo-hex-4-enopyranuronosyl)-β-D-galactopyranose
Synonym  Source
2-(acetylamino)-2-deoxy-3-O-(4-deoxy-2-O-sulfonato-α-L-threo-hex-4-enopyranuronosyl)-β-D-galactopyranoseIUPAC
UniProt Name  Source
4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAcUniProt
Citations