CHEBI:187706 - 15-(3,4-dimethyl-5-pentylfuran-2-yl)-pentadecanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 15-(3,4-dimethyl-5-pentylfuran-2-yl)-pentadecanoic acid
ChEBI ID CHEBI:187706
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H46O3
Net Charge 0
Average Mass 406.651
Monoisotopic Mass 406.34470
InChI InChI=1S/C26H46O3/c1-4-5-16-19-24-22(2)23(3)25(29-24)20-17-14-12-10-8-6-7-9-11-13-15-18-21-26(27)28/h4-21H2,1-3H3,(H,27,28)
InChIKey WYVWYCPRCDUPPH-UHFFFAOYSA-N
SMILES O1C(CCCCCCCCCCCCCCC(O)=O)=C(C(=C1CCCCC)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 15-(3,4-dimethyl-5-pentylfuran-2-yl)-pentadecanoic acid (CHEBI:187706) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
15-(3,4-dimethyl-5-pentyluran-2-yl)pentadecanoic acid
Manual Xrefs Databases
74849738 ChemSpider
HMDB0112081 HMDB
LMFA01150031 LIPID MAPS
View more database links