CHEBI:187579 - 11(E)-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid

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ChEBI Name 11(E)-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid
ChEBI ID CHEBI:187579
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O3
Net Charge 0
Average Mass 348.527
Monoisotopic Mass 348.26645
InChI InChI=1S/C22H36O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h12,15H,4-11,13-14,16-17H2,1-3H3,(H,23,24)/b15-12+
InChIKey JDPJNLGDCVKZFL-NTCAYCPXSA-N
SMILES O1C(CCCCCCCCCCC(O)=O)=C(C(=C1/C=C/CCC)C)C
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 11(E)-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid (CHEBI:187579) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
11-[3,4-dimethyl-5-[(E)-pent-1-enyl]uran-2-yl]undecanoic acid
Manual Xrefs Databases
74849731 ChemSpider
HMDB0112073 HMDB
LMFA01150071 LIPID MAPS
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