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CHEBI:151184 - β-L-thrHexpA4en-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:151184
ChEBI Nameβ-L-thrHexpA4en-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-L-thrHexpA4en-(1->4)-beta-D-GlcpNAc
DefinitionAn amino disaccharide consisting of a β-L-threo-hex-4-enopyranuronse residue and a 2-acetamido-2-deoxy-β-D-glucopyranose residue joined in sequence by a (1→4) glycosidic bond.
Last Modified15 December 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21NO12
Net Charge0
Average Mass395.317
Monoisotopic Mass395.10638
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](CO)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a21EEA-1b_1-5]/1-2/a4-b1
InChIInChI=1S/C14H21NO12/c1-3(17)15-5-6(18)10(4(2-16)25-13(5)24)26-14-9(21)7(19)8(20)11(27-14)12(22)23/h4-7,9-10,13-14,16,18-21,24H,2H2,1H3,(H,15,17)(H,22,23)/t4-,5-,6-,7+,9-,10-,13-,14+/m1/s1
InChIKeyAHYLVPBUHILXME-YUTXZUSBSA-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)
β-L-thrHexpA4en-(1→4)-β-D-GlcpNAc (CHEBI:151184) is a acetamides (CHEBI:22160)
β-L-thrHexpA4en-(1→4)-β-D-GlcpNAc (CHEBI:151184) is a amino disaccharide (CHEBI:22480)
β-L-thrHexpA4en-(1→4)-β-D-GlcpNAc (CHEBI:151184) is a enol (CHEBI:33823)
β-L-thrHexpA4en-(1→4)-β-D-GlcpNAc (CHEBI:151184) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-acetamido-2-deoxy-4-O-β-L-threo-hex-4-enopyranuronosyl-β-D-glucopyranose
Synonym  Source
(2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acidIUPAC
Manual XrefsDatabases
G54742JQGlyTouCan
G54742JQGlyGen