EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228183 - pentacosan-12-ol

ChEBI IDCHEBI:228183
ChEBI Namepentacosan-12-ol
Stars
DefinitionA secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 12.
Last Modified8 November 2023
SubmitterAdnan
DownloadsMolfile
FormulaC25H52O
Net Charge0
Average Mass368.690
Monoisotopic Mass368.40182
SMILESCCCCCCCCCCCCCC(O)CCCCCCCCCCC
InChIInChI=1S/C25H52O/c1-3-5-7-9-11-13-14-16-18-20-22-24-25(26)23-21-19-17-15-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKeyNUEHZEQYWVWOSH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Melanoplus packardii (ncbitaxon:103651) - DOI (10.1007/BF02532655)
Roles Classification
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
pentacosan-12-ol (CHEBI:228183) has role animal metabolite (CHEBI:75767)
pentacosan-12-ol (CHEBI:228183) is a pentacosanol (CHEBI:228171)
pentacosan-12-ol (CHEBI:228183) is a secondary fatty alcohol (CHEBI:167095)
IUPAC Name 
pentacosan-12-ol
Synonyms  Source
12-pentacosanolChEBI
12-hydroxypentacosaneChEBI
Registry NumbersSources
CAS:138966-98-0ChEBI