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CHEBI:46050 - docosane

ChEBI IDCHEBI:46050
ChEBI Namedocosane
Stars
DefinitionA straight-chain alkane with 22 carbon atoms.
Secondary ChEBI IDsCHEBI:30271, CHEBI:46049
Last Modified26 October 2023
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H46
Net Charge0
Average Mass310.610
Monoisotopic Mass310.35995
SMILESCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyHOWGUJZVBDQJKV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Frullania scandens (ncbitaxon:642360) - PubMed (12620357)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
docosane (CHEBI:46050) has role plant metabolite (CHEBI:76924)
docosane (CHEBI:46050) is a long-chain alkane (CHEBI:83563)
Incoming Relation(s)
1,2-docosanediol (CHEBI:84958) has parent hydride docosane (CHEBI:46050)
docosanedioic acid (CHEBI:76319) has parent hydride docosane (CHEBI:46050)
docosanol (CHEBI:197511) has parent hydride docosane (CHEBI:46050)
behenyl group (CHEBI:32933) is substituent group from docosane (CHEBI:46050)
IUPAC Name 
docosane
Synonyms  Source
n-docosaneNIST Chemistry WebBook
CH3‒[CH2]20‒CH3IUPAC
DokosanChEBI
Manual XrefsDatabases
TWTPDBeChem
C00035592KNApSAcK
Registry NumbersSources
Beilstein:1702206Beilstein
Reaxys:1702206Reaxys
CAS:629-97-0ChemIDplus
CAS:629-97-0NIST Chemistry WebBook
Citations