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CHEBI:28817 - dodecane

ChEBI IDCHEBI:28817
ChEBI Namedodecane
Stars
DefinitionA straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).
Secondary ChEBI IDsCHEBI:4675, CHEBI:25464, CHEBI:41713
Last Modified24 August 2023
DownloadsMolfile
FormulaC12H26
Net Charge0
Average Mass170.340
Monoisotopic Mass170.20345
SMILESCCCCCCCCCCCC
InChIInChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeySNRUBQQJIBEYMU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
dodecane (CHEBI:28817) has role plant metabolite (CHEBI:76924)
dodecane (CHEBI:28817) is a alkane (CHEBI:18310)
Incoming Relation(s)
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  Source
DodecaneKEGG COMPOUND
n-DodecaneKEGG COMPOUND
DodekanChEBI
CH3‒[CH2]10‒CH3IUPAC
DODECANEPDBeChem
DihexylHMDB
UniProt Name  Source
dodecaneUniProt
Manual XrefsDatabases
C08374KEGG COMPOUND
C08374KEGG COMPOUND
D12PDBeChem
LMFA11000004LIPID MAPS
DB02771DrugBank
CPD-9290MetaCyc
HMDB0031444HMDB
DodecaneWikipedia
C00001248KNApSAcK
Registry NumbersSources
Gmelin:201408Gmelin
Reaxys:1697175Reaxys
CAS:112-40-3KEGG COMPOUND
CAS:112-40-3ChemIDplus
CAS:112-40-3NIST Chemistry WebBook
Citations