CHEBI:45296 - hexadecane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C16H34
Net Charge 0
Average Mass 226.442
Monoisotopic Mass 226.266
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:9031) 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 metabolite that is found naturally as a component of a volatile oil.
Application(s): non-polar solvent

View more via ChEBI Ontology
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)
1,2-hexadecanediol (CHEBI:75586) has parent hydride hexadecane (CHEBI:45296)
palmityl group (CHEBI:25842) is substituent group from hexadecane (CHEBI:45296)
IUPAC Name
hexadecane
Synonyms Sources
Cetan ChEBI
cetane NIST Chemistry WebBook
CH3‒[CH2]14‒CH3 IUPAC
HEXADECANE PDBeChem
Hexadekan ChEBI
n-cetane NIST Chemistry WebBook
n-hexadecane ChemIDplus
Zetan ChEBI
Database Links Databases
Hexadecane Wikipedia
HMDB0033792 HMDB
R16 PDBeChem
View more database links
Registry Numbers Types Sources
103739 Gmelin Registry Number Gmelin
1736592 Beilstein Registry Number Beilstein
1736592 Reaxys Registry Number Reaxys
544-76-3 CAS Registry Number ChemIDplus
544-76-3 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
17314143 PubMed citation Europe PMC
19114507 PubMed citation Europe PMC
205235 PubMed citation Europe PMC
24657864 PubMed citation Europe PMC
24765642 PubMed citation Europe PMC
2480087 PubMed citation Europe PMC
27439360 PubMed citation Europe PMC
Last Modified
31 July 2016