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CHEBI:146763 - β-D-GlcpA-(1→3)-D-GalpNAc6S

Default Structure
ChEBI IDCHEBI:146763
ChEBI Nameβ-D-GlcpA-(1→3)-D-GalpNAc6S
Stars
ASCII Namebeta-D-GlcpA-(1->3)-D-GalpNAc6S
DefinitionA carbohydrate sulfate that is 2-acetamido-6-O-sulfo-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding β-D-glucopyranuronoside.
Last Modified4 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H23NO15S
Net Charge0
Average Mass477.397
Monoisotopic Mass477.07884
SMILESCC(=O)N[C@H]1C(O)O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2122A-1b_1-5]/1-2/a3-b1
InChIInChI=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
InChIKeyHMCUNCSRFXXUOR-XQLAHFFZSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→3)-D-GalpNAc6S (CHEBI:146763) is a acetamides (CHEBI:22160)
β-D-GlcpA-(1→3)-D-GalpNAc6S (CHEBI:146763) is a amino disaccharide (CHEBI:22480)
β-D-GlcpA-(1→3)-D-GalpNAc6S (CHEBI:146763) is a carbohydrate acid derivative (CHEBI:63436)
β-D-GlcpA-(1→3)-D-GalpNAc6S (CHEBI:146763) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Names 
2-acetamido-2-deoxy-3-O-β-D-glucopyranuronosyl-6-O-sulfo-D-galactopyranose
GlcA(b1-3)GalNAc6S
Synonyms  Source
(2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidIUPAC
β-D-gluco-hexopyranosyluronic acid-(1→3)-2-acetamido-2-deoxy-6-O-sulfo-D-galacto-hexopyranoseIUPAC
Manual XrefsDatabases
G05005QIGlyGen
G05005QIGlyTouCan
G12483KEGG GLYCAN