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CHEBI:190077 - 2-thio-Acetyl MAGE

ChEBI IDCHEBI:190077
ChEBI Name2-thio-Acetyl MAGE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H42O3S
Net Charge0
Average Mass374.631
Monoisotopic Mass374.28547
SMILESCCCCCCCCCCCCCCCCOC[C@@H](CO)SC(C)=O
InChIInChI=1S/C21H42O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)25-20(2)23/h21-22H,3-19H2,1-2H3/t21-/m1/s1
InChIKeySJNRNWWBXZOALQ-OAQYLSRUSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
2-thio-Acetyl MAGE (CHEBI:190077) is a thiocarboxylic ester (CHEBI:26959)
IUPAC Name 
S-[(2R)-1-hexadecoxy-3-hydroxypropan-2-yl] ethanethioate
Manual XrefsDatabases
29342258ChemSpider