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CHEBI:196006 - (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein

ChEBI IDCHEBI:196006
ChEBI Name(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O2S
Net Charge0
Average Mass232.304
Monoisotopic Mass232.05580
SMILESCS/C=C\C#CCc1ccc(/C=C\C=O)o1
InChIInChI=1S/C13H12O2S/c1-16-11-4-2-3-6-12-8-9-13(15-12)7-5-10-14/h4-5,7-11H,6H2,1H3/b7-5-,11-4-
InChIKeyUGVHOJSVUOERFS-QXOCYMRCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein (CHEBI:196006) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
(Z)-3-[5-[(Z)-5-methylsulanylpent-4-en-2-ynyl]uran-2-yl]prop-2-enal
Manual XrefsDatabases
HMDB0031070HMDB
30776881ChemSpider