CHEBI:186627 - 6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid

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ChEBI Name 6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid
ChEBI ID CHEBI:186627
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O3
Net Charge 0
Average Mass 370.533
Monoisotopic Mass 370.25079
InChI InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
InChIKey MBYMHCHZLAJVRK-PDBXOOCHSA-N
SMILES OC=1C(=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)C=CC1)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
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-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid (CHEBI:186627) has functional parent salicylic acid (CHEBI:16914)
6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid (CHEBI:186627) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name
2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-6-hydroxybenzoic acid
Manual Xrefs Databases
8243312 ChemSpider
LMPK15040005 LIPID MAPS
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