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

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ChEBI Name 4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diol
ChEBI ID CHEBI:185990
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H10O2S2
Net Charge 0
Average Mass 250.330
Monoisotopic Mass 250.01222
InChI InChI=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
InChIKey IMAVIDBJKACAND-UHFFFAOYSA-N
SMILES S1C(C=2SC=CC2)=CC=C1C#CC(O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
13957661 ChemSpider
LMFA12000362 LIPID MAPS
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