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

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ChEBI Name Δ4-β-D-GlcpA2S-(1→3)-α-D-GlcpNAc
ChEBI ID CHEBI:148337
ChEBI ASCII Name Delta(4)-beta-D-GlcpA2S-(1->3)-alpha-D-GlcpNAc
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C14H21NO15S
Net Charge 0
Average Mass 475.370
Monoisotopic Mass 475.06319
InChI InChI=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
InChIKey QLTWLNIGPMYBGJ-NXYODELNSA-N
SMILES S(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)OC(=C(O)[C@@H]1O)C(O)=O)(O)(=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 α,β-unsaturated monocarboxylic acid (CHEBI:79020)
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)
IUPAC Name
2-acetamido-2-deoxy-4-O-(2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-α-D-glucopyranose
Synonyms Sources
(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 acid IUPAC
WURCS=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 SUBMITTER
Manual Xrefs Databases
G21302DD GlyGen
G21302DD GlyTouCan
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Last Modified
06 May 2020