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CHEBI:150171 - [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:150171
ChEBI Name[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H50N2O27S2
Net Charge0
Average Mass910.829
Monoisotopic Mass910.20424
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[h2112h_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a3-b1_b3-c1_c4-d1
InChIInChI=1S/C28H50N2O27S2/c1-8(34)29-10(3-31)23(16(37)11(36)4-32)55-28-22(43)25(18(39)14(54-28)7-51-59(47,48)49)57-26-15(30-9(2)35)19(40)24(12(5-33)52-26)56-27-21(42)20(41)17(38)13(53-27)6-50-58(44,45)46/h10-28,31-33,36-43H,3-7H2,1-2H3,(H,29,34)(H,30,35)(H,44,45,46)(H,47,48,49)/t10-,11+,12+,13+,14+,15+,16-,17-,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,28-/m0/s1
InChIKeyRAODEXWNIZTSGB-WXFWLNMJSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:150171) is a oligosaccharide sulfate (CHEBI:37909)
Manual XrefsDatabases
G37861OJGlyTouCan
G37861OJGlyGen