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CHEBI:148180 - Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S6S

ChEBI IDCHEBI:148180
ChEBI NameΔ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S6S
Stars
ASCII NameDelta(4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S6S
DefinitionAn amino disaccharide consisting of α-L-threo-hex-4-enopyranuronic acid and 2-acetaido-2-deoxy-4,6-di-O-sulfo-β-D-galactopyranose joined in sequence by a (1→3) glycosidic bond.
Last Modified26 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21NO18S2
Net Charge0
Average Mass555.445
Monoisotopic Mass555.02000
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)O)=C(O)[C@H](O)[C@H]2O)[C@@H](OS(=O)(=O)O)[C@@H](COS(=O)(=O)O)O[C@H]1O
InChIInChI=1S/C14H21NO18S2/c1-3(16)15-5-10(31-14-8(19)6(17)7(18)11(32-14)12(20)21)9(33-35(26,27)28)4(30-13(5)22)2-29-34(23,24)25/h4-6,8-10,13-14,17-19,22H,2H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6+,8-,9+,10-,13-,14-/m1/s1
InChIKeyGOVPAQWWVQAYAY-FPHHQEDQSA-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→3)-β-D-GalpNAc4S6S (CHEBI:148180) is a acetamides (CHEBI:22160)
Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S6S (CHEBI:148180) is a amino disaccharide (CHEBI:22480)
Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S6S (CHEBI:148180) is a enol (CHEBI:33823)
Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S6S (CHEBI:148180) is a oligosaccharide sulfate (CHEBI:37909)
Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S6S (CHEBI:148180) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
2-acetamido-2-deoxy-3-O-α-L-threo-hex-4-enopyranuronosyl-4,6-di-O-sulfo-β-D-galactopyranose
Synonym  Source
(2R,3R,4R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acidIUPAC
Manual XrefsDatabases
G19405OHGlyTouCan
G19405OHGlyGen