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CHEBI:148591 - [(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:148591
ChEBI Name[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H38N2O19S
Net Charge0
Average Mass666.608
Monoisotopic Mass666.17895
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3/a3-b1_a6-c1
InChIInChI=1S/C22H38N2O19S/c1-6(26)23-11-16(31)14(29)10(5-39-44(35,36)37)42-21(11)38-4-9-15(30)19(12(20(34)40-9)24-7(2)27)43-22-18(33)17(32)13(28)8(3-25)41-22/h8-22,25,28-34H,3-5H2,1-2H3,(H,23,26)(H,24,27)(H,35,36,37)/t8-,9-,10-,11-,12-,13+,14-,15+,16-,17+,18-,19-,20?,21-,22+/m1/s1
InChIKeyGIFMPMIHCYRIMA-YGZXVLNUSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:148591) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Gal(b1-3)[GlcNAc6S(b1-6)]GalNAcSUBMITTER
Manual XrefsDatabases
G23285KYGlyTouCan
G23285KYGlyGen