2-(5-hexadecylfuran-2-yl)-acetic acid (CHEBI:187337)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-(5-hexadecylfuran-2-yl)-acetic acid

ChEBI ID	CHEBI:187337

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H38O3

Net Charge

Average Mass

350.543

Monoisotopic Mass

350.28210

InChI

InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(25-20)19-22(23)24/h17-18H,2-16,19H2,1H3,(H,23,24)

InChIKey

MYKNDMTYMCTYAG-UHFFFAOYSA-N

SMILES

O1C(CCCCCCCCCCCCCCCC)=CC=C1CC(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 )

ChEBI Ontology
Outgoing	2-(5-hexadecylfuran-2-yl)-acetic acid (CHEBI:187337) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

2-(5-hexadecyluran-2-yl)acetic acid