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CHEBI:147148 - α-L-threo-hex-4-enopyranuronosyl-(1→3)-β-D-GalpNAc6S

ChEBI IDCHEBI:147148
ChEBI Nameα-L-threo-hex-4-enopyranuronosyl-(1→3)-β-D-GalpNAc6S
Stars
ASCII Namealpha-L-threo-hex-4-enopyranuronosyl-(1->3)-beta-D-GalpNAc6S
DefinitionAn aminodisaccharide that is 2-acetamido-2-deoxy-6-O-sulfo-β-D-galactopyranose in which the hydroxy group at position 3 has been glycosylated by an α-L-threo-hex-4-enopyranosiduronic acid group.
Last Modified1 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21NO15S
Net Charge0
Average Mass475.381
Monoisotopic Mass475.06319
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)O)=C(O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2/a3-b1
InChIInChI=1S/C14H21NO15S/c1-3(16)15-5-10(6(17)4(28-13(5)23)2-27-31(24,25)26)29-14-9(20)7(18)8(19)11(30-14)12(21)22/h4-7,9-10,13-14,17-20,23H,2H2,1H3,(H,15,16)(H,21,22)(H,24,25,26)/t4-,5-,6+,7+,9-,10-,13-,14-/m1/s1
InChIKeyALHQVWMGDDOQDZ-MIPSCPIWSA-N
ChEBI Ontology
Outgoing Relation(s)
α-L-threo-hex-4-enopyranuronosyl-(1→3)-β-D-GalpNAc6S (CHEBI:147148) is a amino disaccharide (CHEBI:22480)
α-L-threo-hex-4-enopyranuronosyl-(1→3)-β-D-GalpNAc6S (CHEBI:147148) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
2-acetamido-2-deoxy-3-O-α-L-threo-hex-4-enopyranuronosyl-6-O-sulfo-β-D-galactopyranose
Synonym  Source
(2R,3R,4R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acidIUPAC
Manual XrefsDatabases
G10417PVGlyTouCan
G10417PVGlyGen