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CHEBI:83963 - 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−)

ChEBI IDCHEBI:83963
ChEBI Name2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−)
Stars
ASCII Name2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2-)
DefinitionA carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy and sulfate groups of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose arising from deprotonation of carboxylic acid and sulfate functions.
Last Modified19 February 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H19NO14S
Net Charge-2
Average Mass457.366
Monoisotopic Mass457.05372
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O
InChIInChI=1S/C14H21NO14S/c1-4(17)15-8-11(10(29-30(23,24)25)7(3-16)26-13(8)22)28-14-9(19)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
InChIKeyBWBRFVRXCBBDEH-ZTVLJYEESA-L
ChEBI Ontology
Outgoing Relation(s)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−) (CHEBI:83963) is a carbohydrate acid derivative anion (CHEBI:63551)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−) (CHEBI:83963) is a monocarboxylic acid anion (CHEBI:35757)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−) (CHEBI:83963) is a organosulfate oxoanion (CHEBI:58958)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−) (CHEBI:83963) is conjugate base of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose (CHEBI:15931)
Incoming Relation(s)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-β-D-galactopyranose(2−) (CHEBI:57571) is a 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−) (CHEBI:83963)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose (CHEBI:15931) is conjugate acid of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−) (CHEBI:83963)
IUPAC Name 
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-4-O-sulfonato-D-galactopyranose
UniProt Name  Source
4-deoxy-β-D-gluc-4-enuronosyl-(1→3)-N-acetyl-D-galactosamine 4-sulfateUniProt