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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:45296 - hexadecane
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ChEBI Ontology
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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
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Read full article at Wikipedia
Formula
C16H34
Net Charge
0
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
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
)
1,16-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
Synonyms
Sources
Cetan
ChEBI
cetane
NIST Chemistry WebBook
CH
3
‒[CH
2
]
14
‒CH
3
IUPAC
HEXADECANE
PDBeChem
hexadecane
UniProt
Hexadekan
ChEBI
n
-cetane
NIST Chemistry WebBook
n
-hexadecane
ChemIDplus
Zetan
ChEBI
Manual Xrefs
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
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
28 September 2023