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CHEBI:177068 - beta-D-Glucopyranose,1-thio-,1-(5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate

ChEBI IDCHEBI:177068
ChEBI Namebeta-D-Glucopyranose,1-thio-,1-(5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21NO11S3
Net Charge0
Average Mass451.497
Monoisotopic Mass451.02767
SMILESCS(=O)/C=C/CC(C(=O)NOS(=O)(=O)O)[C@@]1(S)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H21NO11S3/c1-26(19)4-2-3-6(11(18)13-24-27(20,21)22)12(25)10(17)9(16)8(15)7(5-14)23-12/h2,4,6-10,14-17,25H,3,5H2,1H3,(H,13,18)(H,20,21,22)/b4-2+/t6?,7-,8-,9+,10-,12+,26?/m1/s1
InChIKeyURMYQRGDHJRORU-IPQUCONDSA-N
ChEBI Ontology
Outgoing Relation(s)
beta-D-Glucopyranose,1-thio-,1-(5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate (CHEBI:177068) is a monosaccharide (CHEBI:35381)
IUPAC Name 
[[(E)-5-methylsulinyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulate
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4947050ChemSpider