EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189254 - 4-Pentylphenylacetylene

ChEBI IDCHEBI:189254
ChEBI Name4-Pentylphenylacetylene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16
Net Charge0
Average Mass172.271
Monoisotopic Mass172.12520
SMILESC#Cc1ccc(CCCCC)cc1
InChIInChI=1S/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3
InChIKeyAPGNXGIUUTWIRE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
4-Pentylphenylacetylene (CHEBI:189254) is a benzenes (CHEBI:22712)
IUPAC Name 
1-ethynyl-4-pentylbenzene
Manual XrefsDatabases
2055502ChemSpider