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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

ChEBI Ontology
IUPAC Name 
dodecane
Synonyms  Source
DodecaneKEGG COMPOUND
n-DodecaneKEGG COMPOUND
Dodekan  deChEBI
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