CHEBI:28817 - dodecane

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ChEBI Name dodecane
ChEBI ID CHEBI:28817
Definition A straight-chain alkane with 12 carbon atoms. It has been form 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
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.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in mouse (Mus musculus).
(via alkane )
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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)
dodecan-1-ol (CHEBI:28878) 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)
dodecanoic acid (CHEBI:30805) has parent hydride dodecane (CHEBI:28817)
dodecyl group (CHEBI:23870) is substituent group from dodecane (CHEBI:28817)
IUPAC Name
dodecane
Synonyms Sources
Bihexyl HMDB
CH3‒[CH2]10‒CH3 IUPAC
Dihexyl HMDB
Dodecane KEGG COMPOUND
DODECANE PDBeChem
Dodekan ChEBI
n-Dodecane KEGG COMPOUND
Database Links Databases
C00001248 KNApSAcK
C08374 KEGG COMPOUND
CPD-9290 MetaCyc
D12 PDBeChem
DB02771 DrugBank
Dodecane Wikipedia
HMDB31444 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 Beilstein Registry Number ChemIDplus
1697175 Reaxys Registry Number Reaxys
201408 Gmelin Registry Number Gmelin
Citation Waiting for Citations Type Source
24493301 PubMed citation CiteXplore
Last Modified
23 October 2015
General Comment
2014-03-12 For occurrence in ginger (Zingiber officinale), see Dictionary of Natural Products (Taylor and Francis Group).