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CHEBI:152591 - [(2R,3R,4R,5S)-5-Acetamido-2,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexyl] hydrogen sulfate

ChEBI IDCHEBI:152591
ChEBI Name[(2R,3R,4R,5S)-5-Acetamido-2,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexyl] hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H37NO18S
Net Charge0
Average Mass611.572
Monoisotopic Mass611.17313
SMILESCC(=O)N[C@@H](CO)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)COS(=O)(=O)O
WURCSWURCS=2.0/3,3,2/[h2122h_2*NCC/3=O_6*OSO/3=O/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3/a3-b1_a4-c1
InChIInChI=1S/C20H37NO18S/c1-6-11(26)13(28)15(30)19(36-6)38-17(8(3-22)21-7(2)24)18(9(25)5-35-40(32,33)34)39-20-16(31)14(29)12(27)10(4-23)37-20/h6,8-20,22-23,25-31H,3-5H2,1-2H3,(H,21,24)(H,32,33,34)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
InChIKeyKTQUFHDBOVZLME-MBKDEEHCSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4R,5S)-5-Acetamido-2,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexyl] hydrogen sulfate (CHEBI:152591) is a O-acyl carbohydrate (CHEBI:52782)
Manual XrefsDatabases
G65414VMGlyTouCan
G65414VMGlyGen