CHEBI:145588 - β-D-GlcpA-(1→3)-β-D-GalpNAc6S

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ChEBI Name β-D-GlcpA-(1→3)-β-D-GalpNAc6S
ChEBI ID CHEBI:145588
ChEBI ASCII Name beta-D-GlcpA-(1->3)-beta-D-GalpNAc6S
Definition An oligosaccharide sulfate that is 2-acetamido-2-deoxy-6-O-sulfo-β-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding β-D-glucopyranuronoside.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C14H23NO15S
Net Charge 0
Average Mass 477.390
Monoisotopic Mass 477.07884
InChI InChI=1S/C14H23NO15S/c1-3(16)15-5-10(6(17)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/h4-11,13-14,17-20,23H,2H2,1H3,(H,15,16)(H,21,22)(H,24,25,26)/t4-,5-,6+,7+,8+,9-,10-,11+,13-,14-/m1/s1
InChIKey HMCUNCSRFXXUOR-YHCGEDBISA-N
SMILES S(OC[C@H]1O[C@@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1O)(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 β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:145588) has functional parent β-D-glucuronic acid (CHEBI:28860)
β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:145588) has functional parent N-acetyl-β-D-galactosamine 6-sulfate (CHEBI:44395)
β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:145588) is a amino disaccharide (CHEBI:22480)
β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:145588) is a glucuronic acids (CHEBI:33886)
β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:145588) is a glycosylgalactose derivative (CHEBI:63360)
β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:145588) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name
2-acetamido-2-deoxy-3-O-β-D-glucopyranuronosyl-6-O-sulfo-β-D-galactopyranose
Synonyms Sources
(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid IUPAC
GlcA(b1-3)b-GalNAc6S IUPAC
WURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2122A-1b_1-5]/1-2/a3-b1 SUBMITTER
Manual Xrefs Databases
G18253ON GlyTouCan
G18253ON GlyGen
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Last Modified
28 April 2020