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CHEBI:148337 - Δ4-β-D-GlcpA2S-(1→3)-α-D-GlcpNAc

ChEBI IDCHEBI:148337
ChEBI NameΔ4-β-D-GlcpA2S-(1→3)-α-D-GlcpNAc
Stars
ASCII NameDelta(4)-beta-D-GlcpA2S-(1->3)-alpha-D-GlcpNAc
DefinitionAn oligosaccharide sulfate consisting of 2-O-sulfo-α-L-threo-hex-4-enopyranuronic acid and 2-acetamido-2-deoxy-α-D-glucopyranose residues joined in sequence by a (1→4) glycosidic linkage.
Last Modified6 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]2OS(=O)(=O)O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NCC/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C14H21NO15S/c1-3(17)15-5-6(18)9(4(2-16)27-13(5)23)28-14-11(30-31(24,25)26)8(20)7(19)10(29-14)12(21)22/h4-6,8-9,11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6-,8+,9-,11-,13+,14-/m1/s1
InChIKeyQLTWLNIGPMYBGJ-NXYODELNSA-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-GlcpA2S-(1→3)-α-D-GlcpNAc (CHEBI:148337) has functional parent N-acetyl-α-D-glucosamine (CHEBI:44278)
Δ4-β-D-GlcpA2S-(1→3)-α-D-GlcpNAc (CHEBI:148337) is a acetamides (CHEBI:22160)
Δ4-β-D-GlcpA2S-(1→3)-α-D-GlcpNAc (CHEBI:148337) is a amino disaccharide (CHEBI:22480)
Δ4-β-D-GlcpA2S-(1→3)-α-D-GlcpNAc (CHEBI:148337) is a enol (CHEBI:33823)
Δ4-β-D-GlcpA2S-(1→3)-α-D-GlcpNAc (CHEBI:148337) is a monocarboxylic acid (CHEBI:25384)
Δ4-β-D-GlcpA2S-(1→3)-α-D-GlcpNAc (CHEBI:148337) is a oligosaccharide sulfate (CHEBI:37909)
Δ4-β-D-GlcpA2S-(1→3)-α-D-GlcpNAc (CHEBI:148337) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
2-acetamido-2-deoxy-4-O-(2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-α-D-glucopyranose
Synonym  Source
(2R,3R,4R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acidIUPAC
Manual XrefsDatabases
G21302DDGlyTouCan
G21302DDGlyGen