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CHEBI:148687 - Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S

ChEBI IDCHEBI:148687
ChEBI NameΔ4-β-D-GlcpA-(1→4)-D-GlcpNS6S
Stars
ASCII NameDelta(4)-beta-D-GlcpA-(1->4)-D-GlcpNS6S
DefinitionAn amino disaccharide consisting of α-L-threo-hex-4-enopyranuronic acid and 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranose joined in sequence by a (1→4) glycosidic bond.
Last Modified18 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H19NO17S2
Net Charge0
Average Mass513.408
Monoisotopic Mass513.00944
SMILESO=C(O)C1=C(O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)C(O)O[C@@H]2COS(=O)(=O)O)O1
WURCSWURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2/a4-b1
InChIInChI=1S/C12H19NO17S2/c14-4-3(13-31(21,22)23)11(20)28-2(1-27-32(24,25)26)8(4)29-12-7(17)5(15)6(16)9(30-12)10(18)19/h2-5,7-8,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5+,7-,8-,11?,12-/m1/s1
InChIKeyGIKSHIUQXWDSBN-YIQFZSAQSA-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)-D-GlcpNS6S (CHEBI:148687) is a disaccharide derivative (CHEBI:63353)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S (CHEBI:148687) is a enol (CHEBI:33823)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S (CHEBI:148687) is a monocarboxylic acid (CHEBI:25384)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S (CHEBI:148687) is a oligosaccharide sulfate (CHEBI:37909)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S (CHEBI:148687) is a sulfamic acids (CHEBI:35719)
IUPAC Name 
2-deoxy-4-O-α-L-threo-hex-4-enopyranuronosyl-6-O-sulfo-2-(sulfoamino)-D-glucopyranose
Synonym  Source
(2R,3R,4R)-2-[(2R,3S,4R,5R)-4,6-dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acidIUPAC
Manual XrefsDatabases
G29391VYGlyTouCan
G29391VYGlyGen