CHEBI:46050 - docosane

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ChEBI Name docosane
ChEBI ID CHEBI:46050
Definition A straight-chain alkane with 22 carbon atoms.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46049, CHEBI:30271
Supplier Information
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Formula C22H46
Net Charge 0
Average Mass 310.60064
Monoisotopic Mass 310.360
InChI InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey HOWGUJZVBDQJKV-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC
Metabolite of Species Details
Frullania scandens (NCBI:642360) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing docosane (CHEBI:46050) has role plant metabolite (CHEBI:76924)
docosane (CHEBI:46050) is a long-chain alkane (CHEBI:83563)
Incoming 1,2-docosanediol (CHEBI:84958) has parent hydride docosane (CHEBI:46050)
docosan-1-ol (CHEBI:31000) has parent hydride docosane (CHEBI:46050)
docosanedioic acid (CHEBI:76319) has parent hydride docosane (CHEBI:46050)
behenyl group (CHEBI:32933) is substituent group from docosane (CHEBI:46050)
IUPAC Name
docosane
Synonyms Sources
CH3‒[CH2]20‒CH3 IUPAC
Dokosan ChEBI
n-docosane NIST Chemistry WebBook
Database Links Databases
C00035592 KNApSAcK
TWT PDBeChem
View more database links
Registry Numbers Types Sources
1702206 Beilstein Registry Number Beilstein
1702206 Reaxys Registry Number Reaxys
629-97-0 CAS Registry Number NIST Chemistry WebBook
629-97-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
12620357 PubMed citation Europe PMC
Last Modified
23 October 2015