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CHEBI:152598 - (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,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-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:152598
ChEBI Name(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,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-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H52N2O29
Net Charge0
Average Mass952.775
Monoisotopic Mass952.26557
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](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4C(=O)O)[C@@H]3NC(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=2.0/3,5,4/[a2122A-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-3-2-3/a4-b1_b3-c1_c4-d1_d3-e1
InChIInChI=1S/C34H52N2O29/c1-5(39)35-9-20(60-33-18(48)13(43)14(44)24(64-33)27(50)51)11(41)7(3-37)58-32(9)63-23-16(46)19(49)34(65-26(23)29(54)55)61-21-10(36-6(2)40)31(57-8(4-38)12(21)42)62-22-15(45)17(47)30(56)59-25(22)28(52)53/h7-26,30-34,37-38,41-49,56H,3-4H2,1-2H3,(H,35,39)(H,36,40)(H,50,51)(H,52,53)(H,54,55)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,30?,31+,32+,33-,34-/m1/s1
InChIKeyWTCXTXSCKDZVJM-ACHQBCNOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,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-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:152598) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
GlcA(b1-3)GlcNAc(b1-4)GlcA(b1-3)GlcNAc(b1-4)GlcASUBMITTER
beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranuronic acidSUBMITTER
Manual XrefsDatabases
G65438SSGlyTouCan
G65438SSGlyGen