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CHEBI:153083 - [(2R,3S,4R,5R,6R)-5-Acetamido-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:153083
ChEBI Name[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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](O[C@H]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2NC(C)=O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5]/1-2-3/a3-b1_b3-c1
InChIInChI=1S/C22H38N2O19S/c1-6(27)23-11-18(14(30)9(4-26)39-20(11)34)42-21-12(24-7(2)28)19(15(31)10(41-21)5-38-44(35,36)37)43-22-17(33)16(32)13(29)8(3-25)40-22/h8-22,25-26,29-34H,3-5H2,1-2H3,(H,23,27)(H,24,28)(H,35,36,37)/t8-,9-,10-,11-,12-,13+,14+,15-,16+,17-,18-,19-,20?,21+,22+/m1/s1
InChIKeyPELDEZRUGFTVNW-NLWDVNAJSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:153083) 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->3)-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Gal(b1-3)GlcNAc6S(b1-3)GalNAcSUBMITTER
Manual XrefsDatabases
G68290RTGlyTouCan
G68290RTGlyGen