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CHEBI:152035 - (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:152035
ChEBI Name(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H31NO18
Net Charge0
Average Mass573.457
Monoisotopic Mass573.15411
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122A-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-3/a4-b1_b3-c1
InChIInChI=1S/C20H31NO18/c1-3(23)21-5-12(37-20-11(29)7(25)8(26)14(39-20)16(30)31)6(24)4(2-22)35-19(5)38-13-9(27)10(28)18(34)36-15(13)17(32)33/h4-15,18-20,22,24-29,34H,2H2,1H3,(H,21,23)(H,30,31)(H,32,33)/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13+,14+,15+,18?,19+,20-/m1/s1
InChIKeyCMBAPGWWKPAWBQ-XEKYIBFASA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:152035) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
GlcA(b1-3)GlcNAc(b1-4)GlcASUBMITTER
beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranuronic acidSUBMITTER
Manual XrefsDatabases
G51352HPGlyTouCan
G51352HPGlyGen