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CHEBI:148945 - Δ4-β-D-GlcpA-(1→4)-α-D-GlcpNAc6S

ChEBI IDCHEBI:148945
ChEBI NameΔ4-β-D-GlcpA-(1→4)-α-D-GlcpNAc6S
Stars
ASCII NameDelta(4)-beta-D-GlcpA-(1->4)-alpha-D-GlcpNAc6S
DefinitionA Δ4-β-D-GlcpA-(1→4)-D-Glcp in which the the carbon bearing the anomeric hydroxy group has α- configuration.
Last Modified25 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](O[C@@H]2OC(C(=O)O)=C(O)[C@H](O)[C@H]2O)[C@@H](COS(=O)(=O)O)O[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2/a4-b1
InChIInChI=1S/C14H21NO15S/c1-3(16)15-5-6(17)10(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
InChIKeyIYSOGZMXTXLBGK-IGBVQBHASA-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→4)-α-D-GlcpNAc6S (CHEBI:148945) is a Δ4-β-D-GlcpA-(1→4)-D-GlcpNAc6S (CHEBI:148840)
IUPAC Name 
2-acetamido-2-deoxy-4-O-α-L-threo-hex-4-enopyranuronosyl-6-O-sulfo-α-D-glucopyranose
Synonym  Source
(2R,3R,4R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acidIUPAC
Manual XrefsDatabases
G24621KSGlyTouCan
G24621KSGlyGen