CHEBI:148840 - Δ4-β-D-GlcpA-(1→4)-D-GlcpNAc6S

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ChEBI Name Δ4-β-D-GlcpA-(1→4)-D-GlcpNAc6S
ChEBI ID CHEBI:148840
ChEBI ASCII Name Delta(4)-beta-D-GlcpA-(1->4)-D-GlcpNAc6S
Definition An oligosaccharide sufate consisting of α-L-threo-hex-4-enopyranuronic acid and 2-acetamido-2-deoxy-6-O-sulfo-D-glucopyranose joined in sequence by a (1→4) glycosidic bond.
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(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
InChIKey IYSOGZMXTXLBGK-QXEVXLTMSA-N
SMILES S(OC[C@H]1OC(O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Δ4-β-D-GlcpA-(1→4)-D-GlcpNAc6S (CHEBI:148840) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNAc6S (CHEBI:148840) is a amino disaccharide (CHEBI:22480)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNAc6S (CHEBI:148840) is a enol (CHEBI:33823)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNAc6S (CHEBI:148840) is a oligosaccharide sulfate (CHEBI:37909)
Incoming 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-D-glucopyranose
Synonyms Sources
(2R,3R,4R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC
WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2/a4-b1 SUBMITTER
Manual Xrefs Databases
G24259NZ GlyTouCan
G24259NZ GlyGen
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Last Modified
02 June 2020