CHEBI:32941 - heptacosane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name heptacosane
ChEBI ID CHEBI:32941
Definition A straight-chain alkane with 27 carbon atoms.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C27H56
Net Charge 0
Average Mass 380.73350
Monoisotopic Mass 380.43820
InChI InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey BJQWYEJQWHSSCJ-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCC
Metabolite of Species Details
Cistus creticus (NCBI:txid191224) See: PubMed
Prunus avium (NCBI:txid42229) Found in fruit (BTO:0000486). See: DOI
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing heptacosane (CHEBI:32941) has role plant metabolite (CHEBI:76924)
heptacosane (CHEBI:32941) has role volatile oil component (CHEBI:27311)
heptacosane (CHEBI:32941) is a long-chain alkane (CHEBI:83563)
Incoming 26-methylheptacosan-1-ol (CHEBI:84918) has parent hydride heptacosane (CHEBI:32941)
heptacosyl group (CHEBI:32942) is substituent group from heptacosane (CHEBI:32941)
IUPAC Name
heptacosane
Synonyms Sources
CH3‒[CH2]25‒CH3 IUPAC
n-heptacosane NIST Chemistry WebBook
Manual Xref Database
C00030471 KNApSAcK
View more database links
Registry Numbers Types Sources
1706242 Beilstein Registry Number Beilstein
1706242 Reaxys Registry Number Reaxys
593-49-7 CAS Registry Number NIST Chemistry WebBook
593-49-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17328933 PubMed citation Europe PMC
23949856 PubMed citation Europe PMC
Last Modified
19 February 2015