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CHEBI:151990 - [(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

ChEBI IDCHEBI:151990
ChEBI Name[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H45NO24S
Net Charge0
Average Mass787.696
Monoisotopic Mass787.20522
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[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1OS(=O)(=O)O
WURCSWURCS=2.0/4,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O_3*OSO/3=O/3=O]/1-2-3-4/a4-b1_b4-c1_c3-d1
InChIInChI=1S/C26H45NO24S/c1-6(32)27-11-21(51-52(41,42)43)12(33)7(2-28)45-24(11)50-22-13(34)8(3-29)46-26(18(22)39)49-20-10(5-31)47-25(17(38)15(20)36)48-19-9(4-30)44-23(40)16(37)14(19)35/h7-26,28-31,33-40H,2-5H2,1H3,(H,27,32)(H,41,42,43)/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-,18-,19-,20+,21-,22+,23?,24+,25+,26-/m1/s1
InChIKeyQQLBEZOXPXLOSZ-VJHZEGQNSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate (CHEBI:151990) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
GalNAc3S(b1-3)Gal(a1-4)Gal(b1-4)GlcSUBMITTER
2-acetamido-2-deoxy-3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G50866KIGlyTouCan
G50866KIGlyGen