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CHEBI:150644 - [(2R,3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

ChEBI IDCHEBI:150644
ChEBI Name[(2R,3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO18S
Net Charge0
Average Mass609.556
Monoisotopic Mass609.15748
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O][a1221m-1a_1-5]/1-2-3/a3-b1_a4-c1
InChIInChI=1S/C20H35NO18S/c1-5-10(25)12(27)13(28)19(34-5)37-15-8(4-23)35-18(30)9(21-6(2)24)16(15)38-20-14(29)17(39-40(31,32)33)11(26)7(3-22)36-20/h5,7-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)(H,31,32,33)/t5-,7+,8+,9+,10+,11-,12+,13-,14+,15+,16+,17-,18?,19-,20-/m0/s1
InChIKeyABZKLZZRLAPTDK-KGGMAGTISA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate (CHEBI:150644) is a amino sugar (CHEBI:28963)
Synonyms  Source
3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal3S(b1-3)[Fuc(a1-4)]GlcNAcSUBMITTER
Manual XrefsDatabases
G36845IZGlyTouCan
G36845IZGlyGen