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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Δ4-β-D-GlcpA2S-(1→3)-β-D-GalpNAc4S
ChEBI ID CHEBI:146851
ChEBI ASCII Name Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc4S
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C14H21NO18S2
Net Charge 0
Average Mass 555.430
Monoisotopic Mass 555.02001
InChI InChI=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
InChIKey RVAHDTDKGKDRJI-HXZJLZLYSA-N
SMILES O1[C@@H]([C@H](OS(O)(=O)=O)[C@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H](NC(=O)C)[C@@H]1O)CO
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)-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
Synonyms Sources
(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 acid IUPAC
WURCS=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 SUBMITTER
Manual Xrefs Databases
G05671AC GlyTouCan
G05671AC GlyGen
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Last Modified
26 May 2020