CHEBI:167062 - 3-penten-1-yne

ChEBI IDCHEBI:167062
ChEBI Name3-penten-1-yne
Stars
DefinitionAn enyne that is pentane which carries a triple bond at position 1 and a double bond at position 3.
Last Modified19 February 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H6
Net Charge0
Average Mass66.103
Monoisotopic Mass66.04695
SMILES[H]C(C)=C([H])C#C
InChIInChI=1S/C5H6/c1-3-5-4-2/h1,4-5H,2H3
InChIKeyXAJOPMVSQIBJCW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Tuber magnatum (ncbitaxon:42249) fruit body (BTO:0000487) MetaboLights (MTBLS808) Strain: Tuber magnatum Pico
Tuber borchii (ncbitaxon:42251) mycelium (BTO:0001436) PubMed (11140537)
Homo sapiens (ncbitaxon:9606) - PubMed (22619606)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-penten-1-yne (CHEBI:167062) has role fungal metabolite (CHEBI:76946)
3-penten-1-yne (CHEBI:167062) has role human metabolite (CHEBI:77746)
3-penten-1-yne (CHEBI:167062) is a acyclic acetylene (CHEBI:33650)
3-penten-1-yne (CHEBI:167062) is a acyclic olefin (CHEBI:33645)
3-penten-1-yne (CHEBI:167062) is a enyne (CHEBI:59831)
3-penten-1-yne (CHEBI:167062) is a terminal acetylenic compound (CHEBI:73477)
3-penten-1-yne (CHEBI:167062) is a volatile organic compound (CHEBI:134179)
Incoming Relation(s)
(E)-3-penten-1-yne (CHEBI:167520) is a 3-penten-1-yne (CHEBI:167062)
(Z)-3-penten-1-yne (CHEBI:167521) is a 3-penten-1-yne (CHEBI:167062)
IUPAC Name 
pent-3-en-1-yne
Synonyms  Source
1-pentyn-3-eneChEBI
2-penten-4-yneNIST Chemistry WebBook
Manual XrefsDatabases
23255876ChemSpider
Registry NumbersSources
CAS:2206-23-7ChemIDplus
CAS:2206-23-7NIST Chemistry WebBook
Citations