hexadecane (CHEBI:45296)

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ChEBI Name	hexadecane

ChEBI ID	CHEBI:45296

Definition	A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper.

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

Secondary ChEBI IDs	CHEBI:45292, CHEBI:32910

Supplier Information	ZINC000064622619

Download	Molfile XML SDF

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Wikipedia	License
Cacodylic acid is an organoarsenic compound with the formula (CH3)2AsO2H. With the formula R2As(O)OH, it is the simplest of the arsinic acids. It is a colorless solid that is soluble in water. Neutralization of cacodylic acid with base gives cacodylate salts, e.g. sodium cacodylate. They are potent herbicides. Cacodylic acid/sodium cacodylate is a buffering agent in the preparation and fixation of biological samples for electron microscopy and in protein crystallography.
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Formula

C16H34

Net Charge

Average Mass

226.442

Monoisotopic Mass

226.26605

InChI

InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

DCAYPVUWAIABOU-UHFFFAOYSA-N

SMILES

C(CCCCCCCCCC)CCCCC

Metabolite of Species	Details
Gallus gallus (NCBI:txid9031)	See: PubMed

Roles Classification
Chemical Role(s):	non-polar solvent

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. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil.

Application(s):	non-polar solvent

ChEBI Ontology
Outgoing	hexadecane (CHEBI:45296) has role non-polar solvent (CHEBI:48355) hexadecane (CHEBI:45296) has role plant metabolite (CHEBI:76924) hexadecane (CHEBI:45296) has role volatile oil component (CHEBI:27311) hexadecane (CHEBI:45296) is a long-chain alkane (CHEBI:83563)

Incoming	1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadecane (CHEBI:39042) has parent hydride hexadecane (CHEBI:45296) 1,16-hexadecanediol (CHEBI:195244) has parent hydride hexadecane (CHEBI:45296) 1,2-hexadecanediol (CHEBI:75586) has parent hydride hexadecane (CHEBI:45296) hexadecanol (CHEBI:197387) has parent hydride hexadecane (CHEBI:45296) palmityl group (CHEBI:25842) is substituent group from hexadecane (CHEBI:45296)

IUPAC Name

hexadecane

Last Modified

28 September 2023