CHEBI:204302 - 6-bromo-(5E,15Z)-octadeca-5,15-diene-11,13,17-triynoic acid methyl ester

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ChEBI Name 6-bromo-(5E,15Z)-octadeca-5,15-diene-11,13,17-triynoic acid methyl ester
ChEBI ID CHEBI:204302
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H19BrO2
Net Charge 0
Average Mass 347.252
Monoisotopic Mass 346.05684
InChI InChI=1S/C18H19BrO2/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,3-4,15H,9-14,16H2,(H,20,21)/b4-3-,17-15+
InChIKey IQBQVQQXKHQANW-BNXREGJKSA-N
SMILES Br/C(=C/CCCC(=O)O)/CCCCC#CC#C/C=C\C#C
Metabolite of Species Details
Leptogium saturninum (NCBI:txid243206) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 6-bromo-(5E,15Z)-octadeca-5,15-diene-11,13,17-triynoic acid methyl ester (CHEBI:204302) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(5E,15Z)-6-bromooctadeca-5,15-dien-11,13,17-triynoic acid
Manual Xref Database
78434792 ChemSpider
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