CHEBI:28897 - pentadecane

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ChEBI Name pentadecane
ChEBI ID CHEBI:28897
Definition A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44175, CHEBI:7973, CHEBI:25466
Supplier Information ChemicalBook:CB4217947, eMolecules:508523, ZINC000001531089
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Pentadecane is an alkane hydrocarbon with the chemical formula C15H32. It can be monoterminally oxidized to 1-pentadecanol.
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Formula C15H32
Net Charge 0
Average Mass 212.41458
Monoisotopic Mass 212.25040
InChI InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKey YCOZIPAWZNQLMR-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCC
Metabolite of Species Details
Scandix balansae (NCBI:txid54832) See: PubMed
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 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 Sources
CH3‒[CH2]13‒CH3 IUPAC
n-Pentadecane KEGG COMPOUND
Pentadecane KEGG COMPOUND
PENTADECANE PDBeChem
pentadecane UniProt
Pentadekan ChEBI
Manual Xrefs Databases
C00001265 KNApSAcK
C08388 KEGG COMPOUND
CPD-7946 MetaCyc
DB03715 DrugBank
HMDB0059886 HMDB
LMFA11000006 LIPID MAPS
MYS PDBeChem
Pentadecane Wikipedia
View more database links
Registry Numbers Types Sources
1698194 Reaxys Registry Number Reaxys
629-62-9 CAS Registry Number KEGG COMPOUND
629-62-9 CAS Registry Number ChemIDplus
629-62-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations
Last Modified
25 August 2023