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CHEBI:153750 - [(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,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,6R)-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]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

ChEBI IDCHEBI:153750
ChEBI Name[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,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,6R)-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]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H55NO29S
Net Charge0
Average Mass949.837
Monoisotopic Mass949.25805
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@H](O)O[C@@H]4CO)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O
WURCSWURCS=2.0/5,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3-4-5/a4-b1_b4-c1_c3-d1_d3-e1
InChIInChI=1S/C32H55NO29S/c1-7(39)33-13-25(60-32-22(48)27(62-63(50,51)52)16(42)10(4-36)56-32)14(40)8(2-34)54-29(13)61-26-15(41)9(3-35)55-31(21(26)47)59-24-12(6-38)57-30(20(46)18(24)44)58-23-11(5-37)53-28(49)19(45)17(23)43/h8-32,34-38,40-49H,2-6H2,1H3,(H,33,39)(H,50,51,52)/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24+,25-,26+,27+,28-,29+,30+,31-,32+/m1/s1
InChIKeyQHMGYXWTPCPXAR-FNWXIEORSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,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,6R)-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]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate (CHEBI:153750) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Gal3S(b1-3)GalNAc(b1-3)Gal(a1-4)Gal(b1-4)b-GlcSUBMITTER
3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G80193TNGlyTouCan
G80193TNGlyGen