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CHEBI:146851 - Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc4S

ChEBI IDCHEBI:146851
ChEBI NameΔ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc4S
Stars
ASCII NameDelta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc4S
DefinitionAn oligosaccharide sulfate that is 4-deoxy-Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc in which the hydroxy group at position 4 of the 2-acetamido-beta-D-galactopyranose moiety has been converted into the corresponding hydrogen sulfate derivative.
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]2OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a3-b1
InChIInChI=1S/C14H21NO18S2/c1-3(17)15-5-9(8(32-34(23,24)25)4(2-16)29-13(5)22)30-14-11(33-35(26,27)28)7(19)6(18)10(31-14)12(20)21/h4-5,7-9,11,13-14,16,18-19,22H,2H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,7+,8+,9-,11-,13-,14-/m1/s1
InChIKeyRVAHDTDKGKDRJI-HXZJLZLYSA-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)-β-D-GalpNAc4S (CHEBI:146851) has functional parent Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:146580)
Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc4S (CHEBI:146851) is a acetamides (CHEBI:22160)
Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc4S (CHEBI:146851) is a amino disaccharide (CHEBI:22480)
Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc4S (CHEBI:146851) is a enol (CHEBI:33823)
Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc4S (CHEBI:146851) is a monocarboxylic acid (CHEBI:25384)
Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc4S (CHEBI:146851) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
2-acetamido-2-deoxy-4-O-sulfo-3-O-(2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-β-D-galactopyranose
Synonym  Source
(2R,3R,4R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acidIUPAC
Manual XrefsDatabases
G05671ACGlyTouCan
G05671ACGlyGen