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CHEBI:146580 - Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S

Default Structure
ChEBI IDCHEBI:146580
ChEBI NameΔ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S
Stars
ASCII NameDelta(4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S
DefinitionA Δ4-β-D-GlcpA-(1→3)-D-GalpNAc4S in which the the carbon bearing the anomeric hydroxy group has β- configuration.
Last Modified5 May 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](OS(=O)(=O)O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C14H21NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-6,8-10,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6+,8-,9+,10-,13-,14-/m1/s1
InChIKeyYEYRBRVYMZJMFB-FPHHQEDQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:146580) has functional parent N-acetyl-β-D-galactosamine 6-sulfate (CHEBI:44395)
Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:146580) has functional parent 4,5-dehydro-D-glucuronic acid (CHEBI:43262)
Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:146580) is a Δ4-β-D-GlcpA-(1→3)-D-GalpNAc4S (CHEBI:146900)
Incoming Relation(s)
Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc4S (CHEBI:146851) has functional parent Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:146580)
IUPAC Name 
2-acetamido-2-deoxy-3-O-α-L-threo-hex-4-enopyranuronosyl-4-O-sulfo-β-D-galactopyranose
Synonym  Source
(2R,3R,4R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acidIUPAC
Manual XrefsDatabases
G01825JSGlyGen
G01825JSGlyTouCan