EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228137 - 1,12-dodecanediol

ChEBI IDCHEBI:228137
ChEBI Name1,12-dodecanediol
Stars
DefinitionA medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 12.
Last Modified31 October 2023
SubmitterAdnan
DownloadsMolfile
FormulaC12H26O2
Net Charge0
Average Mass202.338
Monoisotopic Mass202.19328
SMILESOCCCCCCCCCCCCO
InChIInChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
InChIKeyGHLKSLMMWAKNBM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (29180361)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
1,12-dodecanediol (CHEBI:228137) has role Escherichia coli metabolite (CHEBI:76971)
1,12-dodecanediol (CHEBI:228137) is a dodecanediol (CHEBI:195615)
1,12-dodecanediol (CHEBI:228137) is a medium-chain primary fatty alcohol (CHEBI:142605)
IUPAC Name 
dodecane-1,12-diol
Synonyms  Source
1,12-dihydroxydodecaneChEBI
dodecamethylene glycolChEBI
Registry NumbersSources
Reaxys:1742760Reaxys
CAS:5675-51-4NIST Chemistry WebBook
Citations