CHEBI:172101 - (E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne

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ChEBI Name (E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne
ChEBI ID CHEBI:172101
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H12
Net Charge 0
Average Mass 168.239
Monoisotopic Mass 168.09390
InChI InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4+,7-5+,11-9+
InChIKey ASVIELUINMCNMW-FSNIPRKGSA-N
SMILES C(=C\C=C)/C=C/C#CC#C\C=C\C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing (E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne (CHEBI:172101) is a enyne (CHEBI:59831)
IUPAC Name
(3E,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne
Manual Xref Database
4509555 ChemSpider
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Registry Number Type Source
17091-00-8 CAS Registry Number ChemIDplus