4-heptyl-2-methyl-2-undecenoic acid (CHEBI:196580)

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CHEBI:196580 - 4-heptyl-2-methyl-2-undecenoic acid

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ChEBI ID	CHEBI:196580
ChEBI Name	4-heptyl-2-methyl-2-undecenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H36O2
Net Charge	0
Average Mass	296.495
Monoisotopic Mass	296.27153
SMILES	CCCCCCCC(/C=C(\C)C(=O)O)CCCCCCC
InChI	InChI=1S/C19H36O2/c1-4-6-8-10-12-14-18(16-17(3)19(20)21)15-13-11-9-7-5-2/h16,18H,4-15H2,1-3H3,(H,20,21)/b17-16+
InChIKey	LJWGTWOYHJBWJZ-WUKNDPDISA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	4-heptyl-2-methyl-2-undecenoic acid (CHEBI:196580) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(E)-4-heptyl-2-methylundec-2-enoic acid

Manual Xrefs	Databases
LMFA01020138	LIPID MAPS
4445804	ChemSpider