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CHEBI:148491 - (2S,3R,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

ChEBI IDCHEBI:148491
ChEBI Name(2S,3R,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC46H76N2O40S
Net Charge0
Average Mass1329.155
Monoisotopic Mass1328.36951
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,7,6/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5][a2122A-1b_1-5_3*OSO/3=O/3=O]/1-2-3-2-3-4-5/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1_f3-g1
InChIInChI=1S/C46H76N2O40S/c1-9(55)47-17-22(60)31(15(7-53)79-42(17)85-35-20(58)12(4-50)78-45(28(35)66)83-33-14(6-52)75-40(71)25(63)24(33)62)81-43-27(65)34(19(57)11(3-49)76-43)84-41-18(48-10(2)56)23(61)32(16(8-54)80-41)82-44-29(67)36(21(59)13(5-51)77-44)86-46-30(68)37(88-89(72,73)74)26(64)38(87-46)39(69)70/h11-38,40-46,49-54,57-68,71H,3-8H2,1-2H3,(H,47,55)(H,48,56)(H,69,70)(H,72,73,74)/t11-,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+,38+,40-,41+,42+,43+,44-,45+,46-/m1/s1
InChIKeyUMXJZILSAKZPGU-GKJQGEQFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid (CHEBI:148491) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
3-O-sulfo-beta-D-gluco-hexopyranosyluronic acid-(1->3)-alpha-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
GlcA3S(b1-3)Gal(a1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G25674WKGlyTouCan
G25674WKGlyGen