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CHEBI:149183 - (2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(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-5-hydroxy-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:149183
ChEBI Name(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(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-5-hydroxy-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
FormulaC40H66N2O35S
Net Charge0
Average Mass1167.014
Monoisotopic Mass1166.31668
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](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@@H]3O)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]3O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5_3*OSO/3=O/3=O]/1-2-3-4-2-5/a4-b1_b3-c1_c3-d1_d4-e1_e3-f1
InChIInChI=1S/C40H66N2O35S/c1-8(48)41-15-20(53)27(71-38-25(58)31(19(52)12(5-45)68-38)75-40-26(59)32(77-78(63,64)65)23(56)33(76-40)34(60)61)14(7-47)70-36(15)73-29-16(42-9(2)49)37(67-10(3-43)17(29)50)74-30-18(51)11(4-44)69-39(24(30)57)72-28-13(6-46)66-35(62)22(55)21(28)54/h10-33,35-40,43-47,50-59,62H,3-7H2,1-2H3,(H,41,48)(H,42,49)(H,60,61)(H,63,64,65)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27-,28-,29-,30+,31+,32+,33+,35-,36+,37+,38+,39+,40-/m1/s1
InChIKeyYBMCGWYUNQKUOY-PXDHFQSFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(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-5-hydroxy-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:149183) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
3-O-sulfo-beta-D-gluco-hexopyranosyluronic acid-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
GlcA3S(b1-3)Gal(b1-4)GlcNAc(b1-3)GalNAc(b1-3)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G31423NLGlyTouCan
G31423NLGlyGen