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CHEBI:28897 - pentadecane

ChEBI IDCHEBI:28897
ChEBI Namepentadecane
Stars
DefinitionA straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae.
Secondary ChEBI IDsCHEBI:7973, CHEBI:25466, CHEBI:44175
Last Modified25 August 2023
DownloadsMolfile
FormulaC15H32
Net Charge0
Average Mass212.421
Monoisotopic Mass212.25040
SMILESCCCCCCCCCCCCCCC
InChIInChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeyYCOZIPAWZNQLMR-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Scandix balansae (ncbitaxon:54832) - PubMed (23847066)
Roles Classification
Biological Roles:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
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)
pentadecane (CHEBI:28897) has role animal metabolite (CHEBI:75767)
pentadecane (CHEBI:28897) has role plant metabolite (CHEBI:76924)
pentadecane (CHEBI:28897) has role volatile oil component (CHEBI:27311)
pentadecane (CHEBI:28897) is a long-chain alkane (CHEBI:83563)
Incoming Relation(s)
14-methylpentadecan-1-ol (CHEBI:84910) has parent hydride pentadecane (CHEBI:28897)
pentadecanol (CHEBI:195629) has parent hydride pentadecane (CHEBI:28897)
pentadecyl group (CHEBI:32909) is substituent group from pentadecane (CHEBI:28897)
Synonyms  Source
PentadecaneKEGG COMPOUND
n-PentadecaneKEGG COMPOUND
PENTADECANEPDBeChem
PentadekanChEBI
CH3‒[CH2]13‒CH3IUPAC
UniProt Name  Source
pentadecaneUniProt
Manual XrefsDatabases
C08388KEGG COMPOUND
C08388KEGG COMPOUND
MYSPDBeChem
LMFA11000006LIPID MAPS
DB03715DrugBank
CPD-7946MetaCyc
PentadecaneWikipedia
HMDB0059886HMDB
C00001265KNApSAcK
Registry NumbersSources
Reaxys:1698194Reaxys
CAS:629-62-9KEGG COMPOUND
CAS:629-62-9ChemIDplus
CAS:629-62-9NIST Chemistry WebBook
Citations