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CHEBI:57878 - 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−)

ChEBI IDCHEBI:57878
ChEBI Name2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−)
Stars
ASCII Name2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-)
DefinitionAn organosulfate oxoanion resulting from the removal of a proton from both the carboxy group and the sulfate group of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose arising from deprotonation of carboxy and sulfate groups; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC14H19NO14S
Net Charge-2
Average Mass457.366
Monoisotopic Mass457.05372
SMILESCC(=O)N[C@H]1C(O)O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@@H]1O[C@@H]1OC(C(=O)[O-])=C[C@H](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-ZTVLJYEESA-L
ChEBI Ontology
Outgoing Relation(s)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−) (CHEBI:57878) is a carbohydrate acid derivative anion (CHEBI:63551)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−) (CHEBI:57878) is a monocarboxylic acid anion (CHEBI:35757)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−) (CHEBI:57878) is a organosulfate oxoanion (CHEBI:58958)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−) (CHEBI:57878) is conjugate base of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose (CHEBI:16735)
Incoming 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)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose (CHEBI:16735) is conjugate acid of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−) (CHEBI:57878)
IUPAC Name 
2-acetamido-2-deoxy-6-O-sulfonato-D-galactopyranos-3-O-yl 4-deoxy-α-L-threo-hex-4-enopyranuronate
UniProt Name  Source
4-deoxy-β-D-gluc-4-enuronosyl-(1→3)-N-acetyl-D-galactosamine 6-sulfateUniProt