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CHEBI:146927 - (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,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-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:146927
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,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-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
FormulaC48H73N3O40
Net Charge0
Average Mass1332.093
Monoisotopic Mass1331.37703
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@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6C(=O)O)[C@@H]5NC(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=2.0/3,7,6/[a2122A-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-3-2-3-2-3/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1_f3-g1
InChIInChI=1S/C48H73N3O40/c1-7(55)49-13-28(83-46-25(67)19(61)20(62)34(89-46)38(70)71)16(58)10(4-52)80-44(13)87-32-22(64)27(69)48(91-36(32)40(74)75)85-30-15(51-9(3)57)45(81-12(6-54)18(30)60)88-33-23(65)26(68)47(90-37(33)41(76)77)84-29-14(50-8(2)56)43(79-11(5-53)17(29)59)86-31-21(63)24(66)42(78)82-35(31)39(72)73/h10-37,42-48,52-54,58-69,78H,4-6H2,1-3H3,(H,49,55)(H,50,56)(H,51,57)(H,70,71)(H,72,73)(H,74,75)(H,76,77)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,42?,43+,44+,45+,46-,47-,48-/m1/s1
InChIKeyXJQJQYOBVCIABK-JQULZQJLSA-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,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-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:146927) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
GlcA(b1-3)GlcNAc(b1-4)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)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranuronic acidSUBMITTER
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