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CHEBI:32943 - octacosane

ChEBI IDCHEBI:32943
ChEBI Nameoctacosane
Stars
DefinitionA straight-chain alkane containing 28 carbon atoms.
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC28H58
Net Charge0
Average Mass394.772
Monoisotopic Mass394.45385
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKeyZYURHZPYMFLWSH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Prunus avium (ncbitaxon:42229) fruit (BTO:0000486) PubMed (17328933)
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)
octacosane (CHEBI:32943) has role plant metabolite (CHEBI:76924)
octacosane (CHEBI:32943) is a long-chain alkane (CHEBI:83563)
Incoming Relation(s)
1,2-octacosanediol (CHEBI:84961) has functional parent octacosane (CHEBI:32943)
octacosan-1-ol (CHEBI:28243) has parent hydride octacosane (CHEBI:32943)
octacosanal (CHEBI:78441) has parent hydride octacosane (CHEBI:32943)
montanyl group (CHEBI:32944) is substituent group from octacosane (CHEBI:32943)
IUPAC Name 
octacosane
Synonyms  Source
CH3‒[CH2]26‒CH3IUPAC
n-octacosaneNIST Chemistry WebBook
Manual XrefsDatabases
CPD-9765MetaCyc
LMFA11000580LIPID MAPS
C00034614KNApSAcK
Registry NumbersSources
Reaxys:1770570Reaxys
CAS:630-02-4ChemIDplus
CAS:630-02-4NIST Chemistry WebBook
Citations