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CHEBI:16148 - heptadecane

ChEBI IDCHEBI:16148
ChEBI Nameheptadecane
Stars
DefinitionA straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa.
Secondary ChEBI IDsCHEBI:5671, CHEBI:14393, CHEBI:24511
Last Modified29 September 2023
DownloadsMolfile
FormulaC17H36
Net Charge0
Average Mass240.475
Monoisotopic Mass240.28170
SMILESCCCCCCCCCCCCCCCCC
InChIInChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeyNDJKXXJCMXVBJW-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Annona squamosa (ncbitaxon:301693) - PubMed (19296389)
Opuntia littoralis (ncbitaxon:993096) - PubMed (24354326)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
heptadecane (CHEBI:16148) has role plant metabolite (CHEBI:76924)
heptadecane (CHEBI:16148) has role volatile oil component (CHEBI:27311)
heptadecane (CHEBI:16148) is a long-chain alkane (CHEBI:83563)
Incoming Relation(s)
16-methylheptadecan-1-ol (CHEBI:84911) has parent hydride heptadecane (CHEBI:16148)
2,6,10,14-tetramethylheptadecane (CHEBI:84229) has parent hydride heptadecane (CHEBI:16148)
2,6,10,15-tetramethylheptadecane (CHEBI:84230) has parent hydride heptadecane (CHEBI:16148)
heptadecanol (CHEBI:197399) has parent hydride heptadecane (CHEBI:16148)
margaryl group (CHEBI:32925) is substituent group from heptadecane (CHEBI:16148)
IUPAC Name 
heptadecane
Synonyms  Source
HeptadecaneKEGG COMPOUND
n-heptadecaneNIST Chemistry WebBook
CH3‒[CH2]15‒CH3IUPAC
HeptadekanChEBI
UniProt Name  Source
heptadecaneUniProt
Manual XrefsDatabases
C01816KEGG COMPOUND
LMFA11000003LIPID MAPS
HEPTADECANE-CPDMetaCyc
HeptadecaneWikipedia
HMDB0059830HMDB
C00030472KNApSAcK
Registry NumbersSources
Reaxys:1738898Reaxys
CAS:629-78-7KEGG COMPOUND
CAS:629-78-7ChemIDplus
CAS:629-78-7NIST Chemistry WebBook
Citations