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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−)
ChEBI ID CHEBI:57878
ChEBI ASCII Name 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-)
Definition An 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.
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-ZTVLJYEESA-L
SMILES CC(=O)N[C@H]1C(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 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-galactopyranose (CHEBI:16735)
Incoming 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-galactopyranose (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
Synonym Source
4-deoxy-β-D-gluc-4-enuronosyl-(1→3)-N-acetyl-D-galactosamine 6-sulfate UniProt
Last Modified
13 November 2017