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CHEBI:147181 - β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA

ChEBI IDCHEBI:147181
ChEBI Nameβ-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA
Stars
ASCII Namebeta-D-GalpNAc4S-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S-(1->4)-beta-D-GlcpA
DefinitionAn aminotetrasaccharide consisting of two units of 2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronic acid joined together by a (1→3') glycosidic linkage.
Last Modified19 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H44N2O29S2
Net Charge0
Average Mass936.779
Monoisotopic Mass936.14712
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4C(=O)O)O[C@H](CO)[C@@H]3OS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O
WURCSWURCS=2.0/2,4,3/[a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O]/1-2-1-2/a4-b1_b3-c1_c4-d1
InChIInChI=1S/C28H44N2O29S2/c1-5(33)29-9-11(35)16(58-60(45,46)47)7(3-31)51-26(9)55-20-13(37)15(39)28(57-22(20)24(42)43)54-18-10(30-6(2)34)27(52-8(4-32)17(18)59-61(48,49)50)56-19-12(36)14(38)25(44)53-21(19)23(40)41/h7-22,25-28,31-32,35-39,44H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,40,41)(H,42,43)(H,45,46,47)(H,48,49,50)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19+,20+,21+,22+,25-,26+,27+,28-/m1/s1
InChIKeyAYWIAFZJVVXXNB-DIHYLOKGSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA (CHEBI:147181) is a acetamides (CHEBI:22160)
β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA (CHEBI:147181) is a amino tetrasaccharide (CHEBI:59412)
β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpA (CHEBI:147181) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Names 
GalNAc4S(b1-4)GlcA(b1-3)GalNAc4S(b1-4)b-GlcA
2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronic acid
Synonyms  Source
2-acetamido-2-deoxy-4-O-sulfo-β-D-galacto-hexopyranosyl-(1→4)-β-D-gluco-hexopyranosyluronic acid-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-β-D-galacto-hexopyranosyl-(1→4)-β-D-gluco-hexopyranuronic acidIUPAC
(2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4R,5S,6S)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acidIUPAC
Manual XrefsDatabases
G07582KMGlyTouCan
G07582KMGlyGen