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> Main
CHEBI:28817 - dodecane
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ChEBI Ontology
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ChEBI Name
dodecane
ChEBI ID
CHEBI:28817
Definition
A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including
Zingiber officinale
(ginger).
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:41713, CHEBI:4675, CHEBI:25464
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Formula
C12H26
Net Charge
0
Average Mass
170.33484
Monoisotopic Mass
170.20345
InChI
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
SNRUBQQJIBEYMU-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCC
Roles Classification
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dodecane (
CHEBI:28817
)
has role
plant metabolite (
CHEBI:76924
)
dodecane (
CHEBI:28817
)
is a
alkane (
CHEBI:18310
)
Incoming
2,7,10-trimethyldodecane (
CHEBI:84280
)
has parent hydride
dodecane (
CHEBI:28817
)
4,6-dimethyldodecane (
CHEBI:84249
)
has parent hydride
dodecane (
CHEBI:28817
)
dodecanal (
CHEBI:27836
)
has parent hydride
dodecane (
CHEBI:28817
)
dodecanedioic acid (
CHEBI:4676
)
has parent hydride
dodecane (
CHEBI:28817
)
dodecanediol (
CHEBI:195615
)
has parent hydride
dodecane (
CHEBI:28817
)
dodecanoic acid (
CHEBI:30805
)
has parent hydride
dodecane (
CHEBI:28817
)
dodecanol (
CHEBI:23866
)
has parent hydride
dodecane (
CHEBI:28817
)
dodecyldimethylamine
N
-oxide (
CHEBI:131762
)
has parent hydride
dodecane (
CHEBI:28817
)
dodecyl group (
CHEBI:23870
)
is substituent group from
dodecane (
CHEBI:28817
)
IUPAC Name
dodecane
Synonyms
Sources
Bihexyl
HMDB
CH
3
‒[CH
2
]
10
‒CH
3
IUPAC
Dihexyl
HMDB
Dodecane
KEGG COMPOUND
DODECANE
PDBeChem
dodecane
UniProt
Dodekan
ChEBI
n-Dodecane
KEGG COMPOUND
Manual Xrefs
Databases
C00001248
KNApSAcK
C08374
KEGG COMPOUND
CPD-9290
MetaCyc
D12
PDBeChem
DB02771
DrugBank
Dodecane
Wikipedia
HMDB0031444
HMDB
LMFA11000004
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
112-40-3
CAS Registry Number
KEGG COMPOUND
112-40-3
CAS Registry Number
ChemIDplus
112-40-3
CAS Registry Number
NIST Chemistry WebBook
1697175
Reaxys Registry Number
Reaxys
201408
Gmelin Registry Number
Gmelin
Citation
Type
Source
24493301
PubMed citation
Europe PMC
Last Modified
24 August 2023
General Comment
2014-03-12
For occurrence in ginger (
Zingiber officinale
), see Dictionary of Natural Products (Taylor and Francis Group).