(3E)-3-hexadecenoic acid (CHEBI:142241)

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ChEBI Name	(3E)-3-hexadecenoic acid

ChEBI ID	CHEBI:142241

ChEBI ASCII Name	(3E)-3-hexadecenoic acid

Definition	A hexadecenoic acid having a trans-double bond at the 3-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

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Formula

C16H30O2

Net Charge

Average Mass

254.409

Monoisotopic Mass

254.22458

InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h13-14H,2-12,15H2,1H3,(H,17,18)/b14-13+

InChIKey

PCBKWKNYISJGPJ-BUHFOSPRSA-N

SMILES

C(CCCCCCC/C=C/CC(O)=O)CCCC

Metabolite of Species	Details
Vicia faba (NCBI:txid3906)	Found in leaf (BTO:0000713). See: PubMed
Trifolium pratense (NCBI:txid57577)	Found in leaf (BTO:0000713). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	(3E)-3-hexadecenoic acid (CHEBI:142241) has role plant metabolite (CHEBI:76924) (3E)-3-hexadecenoic acid (CHEBI:142241) is a hexadecenoic acid (CHEBI:24548)

IUPAC Name

(3E)-hexadec-3-enoic acid

Last Modified

08 October 2018