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CHEBI:185990 - 4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diol

ChEBI IDCHEBI:185990
ChEBI Name4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10O2S2
Net Charge0
Average Mass250.344
Monoisotopic Mass250.01222
SMILESOCC(O)C#Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C12H10O2S2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,13-14H,8H2
InChIKeyIMAVIDBJKACAND-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diol (CHEBI:185990) is a ring assembly (CHEBI:36820)
4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diol (CHEBI:185990) is a thiophenes (CHEBI:26961)
IUPAC Name 
4-(5-thiophen-2-ylthiophen-2-yl)but-3-yne-1,2-diol
Manual XrefsDatabases
13957661ChemSpider
LMFA12000362LIPID MAPS