3,4-Dimethyl-5-pentyl-2-furanundecanoic acid (CHEBI:172575)

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CHEBI:172575 - 3,4-Dimethyl-5-pentyl-2-furanundecanoic acid

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ChEBI ID	CHEBI:172575
ChEBI Name	3,4-Dimethyl-5-pentyl-2-furanundecanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H38O3
Net Charge	0
Average Mass	350.543
Monoisotopic Mass	350.28210
SMILES	CCCCCc1oc(CCCCCCCCCCC(=O)O)c(C)c1C
InChI	InChI=1S/C22H38O3/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/h4-17H2,1-3H3,(H,23,24)
InChIKey	MCTXSZNBSIMKTO-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood plasma (BTO:0000131)	MetaboLights (MTBLS2633)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3,4-Dimethyl-5-pentyl-2-furanundecanoic acid (CHEBI:172575) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoic acid

Manual Xrefs	Databases
23255373	ChemSpider
HMDB0031126	HMDB
LMFA01150070	LIPID MAPS