(E)-2,6-Dimethyl-2,5-heptadienoic acid (CHEBI:180434)

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CHEBI:180434 - (E)-2,6-Dimethyl-2,5-heptadienoic acid

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ChEBI ID	CHEBI:180434
ChEBI Name	(E)-2,6-Dimethyl-2,5-heptadienoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H14O2
Net Charge	0
Average Mass	154.209
Monoisotopic Mass	154.09938
SMILES	CC(C)=CC/C=C(\C)C(=O)O
InChI	InChI=1S/C9H14O2/c1-7(2)5-4-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H,10,11)/b8-6+
InChIKey	IGQGIACCENRGLM-SOFGYWHQSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(E)-2,6-Dimethyl-2,5-heptadienoic acid (CHEBI:180434) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E)-2,6-dimethylhepta-2,5-dienoic acid

Manual Xrefs	Databases
HMDB0035135	HMDB
30777075	ChemSpider