EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:7613 - nonacosane

ChEBI IDCHEBI:7613
ChEBI Namenonacosane
Stars
DefinitionA straight-chain alkane comprising of 29 carbon atoms.
Last Modified19 February 2015
DownloadsMolfile
FormulaC29H60
Net Charge0
Average Mass408.799
Monoisotopic Mass408.46950
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
InChIKeyIGGUPRCHHJZPBS-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Anthemis aciphylla (ncbitaxon:589713) - DOI (10.1248/cpb.54.222)
Euphorbia larica (ncbitaxon:1031526) - DOI (10.1016/j.phytochem.2006.06.030)
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
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)
nonacosane (CHEBI:7613) has role plant metabolite (CHEBI:76924)
nonacosane (CHEBI:7613) has role volatile oil component (CHEBI:27311)
nonacosane (CHEBI:7613) is a long-chain alkane (CHEBI:83563)
Incoming Relation(s)
28-methylnonacosan-1-ol (CHEBI:84919) has parent hydride nonacosane (CHEBI:7613)
nonacos-1-ene (CHEBI:78471) has parent hydride nonacosane (CHEBI:7613)
nonacosan-10-ol (CHEBI:7611) has parent hydride nonacosane (CHEBI:7613)
nonacosan-10-one (CHEBI:7612) has parent hydride nonacosane (CHEBI:7613)
nonacosyl group (CHEBI:32945) is substituent group from nonacosane (CHEBI:7613)
IUPAC Name 
nonacosane
Synonyms  Source
NonacosaneKEGG COMPOUND
n-nonacosaneNIST Chemistry WebBook
CH3‒[CH2]27‒CH3IUPAC
Manual XrefsDatabases
C08384KEGG COMPOUND
LMFA11000005LIPID MAPS
C00001260KNApSAcK
HMDB0034288HMDB
NonacosaneWikipedia
Registry NumbersSources
Reaxys:1724922Reaxys
CAS:630-03-5KEGG COMPOUND
CAS:630-03-5ChemIDplus
CAS:630-03-5NIST Chemistry WebBook
Citations