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CHEBI:156800 - [(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate

Default Structure
ChEBI IDCHEBI:156800
ChEBI Name[(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H28N2O14S
Net Charge0
Average Mass504.467
Monoisotopic Mass504.12612
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C16H28N2O14S/c1-5(20)17-9-13(24)14(7(3-19)30-15(9)25)32-16-10(18-6(2)21)12(23)11(22)8(31-16)4-29-33(26,27)28/h7-16,19,22-25H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H,26,27,28)/t7-,8-,9-,10-,11+,12-,13-,14-,15-,16+/m1/s1
InChIKeyMMPQUGBGPGMLGD-QELKQAQVSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:156800) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
2-acetamido-2-deoxy-6-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
GalNAc6S(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G76572KXGlyGen
G76572KXGlyTouCan