CHEBI:230565 - 3-(but-3-en-1-yn-1-yl)-6-methyl-1,2-dithiine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-(but-3-en-1-yn-1-yl)-6-methyl-1,2-dithiine
ChEBI ID CHEBI:230565
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H8S2
Net Charge 0
Average Mass 180.280
Monoisotopic Mass 180.00674
InChI InChI=1S/C9H8S2/c1-3-4-5-9-7-6-8(2)10-11-9/h3,6-7H,1H2,2H3
InChIKey SEXDKVHSFVCQMZ-UHFFFAOYSA-N
SMILES S1SC(=CC=C1C)C#CC=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-(but-3-en-1-yn-1-yl)-6-methyl-1,2-dithiine (CHEBI:230565) is a organic molecular entity (CHEBI:50860)
IUPAC Name
3-but-3-en-1-ynyl-6-methyldithiine
Manual Xrefs Databases
113368945 ChemSpider
LMFA12000365 LIPID MAPS
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