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CHEBI:28878 - dodecan-1-ol

ChEBI IDCHEBI:28878
ChEBI Namedodecan-1-ol
Stars
DefinitionA primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops.
Secondary ChEBI IDsCHEBI:4678, CHEBI:19040, CHEBI:23861, CHEBI:39605
Last Modified24 August 2023
DownloadsMolfile
FormulaC12H26O
Net Charge0
Average Mass186.339
Monoisotopic Mass186.19837
SMILESCCCCCCCCCCCCO
InChIInChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKeyLQZZUXJYWNFBMV-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
faeces (UBERON:0001988) PubMed (17314143)
saliva (UBERON:0001836) MetaboLights (MTBLS226)
feces (UBERON:0001988) MetaboLights (MTBLS226)
blood serum (BTO:0000133) MetaboLights (MTBLS298)
Glycine max (ncbitaxon:3847) - MetaboLights (MTBLS117)
Streptomyces griseobrunneus (ncbitaxon:66894) - PubMed (33123751)
Roles Classification
Biological Roles:
insect attractant  A chemical that attracts insects.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
pheromone  A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
cosmetic  The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
dodecan-1-ol (CHEBI:28878) has role bacterial metabolite (CHEBI:76969)
dodecan-1-ol (CHEBI:28878) has role cosmetic (CHEBI:64857)
dodecan-1-ol (CHEBI:28878) has role insect attractant (CHEBI:24850)
dodecan-1-ol (CHEBI:28878) has role insecticide (CHEBI:24852)
dodecan-1-ol (CHEBI:28878) has role pheromone (CHEBI:26013)
dodecan-1-ol (CHEBI:28878) has role plant metabolite (CHEBI:76924)
dodecan-1-ol (CHEBI:28878) is a dodecanol (CHEBI:23866)
dodecan-1-ol (CHEBI:28878) is a primary alcohol (CHEBI:15734)
Incoming Relation(s)
1-O-dodecylglycerol (CHEBI:144943) has functional parent dodecan-1-ol (CHEBI:28878)
dodecyl dodecanoate (CHEBI:141061) has functional parent dodecan-1-ol (CHEBI:28878)
dodecyl palmitate (CHEBI:23871) has functional parent dodecan-1-ol (CHEBI:28878)
lauryl acrylate (CHEBI:191951) has functional parent dodecan-1-ol (CHEBI:28878)
lauryl palmitoleate (CHEBI:84155) has functional parent dodecan-1-ol (CHEBI:28878)
IUPAC Name 
dodecan-1-ol
Synonyms  Source
dodecylalcoholKEGG COMPOUND
dodecyl alcoholKEGG COMPOUND
lauryl alcoholKEGG COMPOUND
1-dodecanolKEGG COMPOUND
dodecanolLIPID MAPS
1-hydroxydodecaneChemIDplus
UniProt Name  Source
dodecan-1-olUniProt
Manual XrefsDatabases
C02277KEGG COMPOUND
c0564UM-BBD
1DOPDBeChem
LMFA05000001LIPID MAPS
DB06894DrugBank
DodecanolWikipedia
HMDB0011626HMDB
CPD-7867MetaCyc
C00030152KNApSAcK
1379PPDB
1379BPDB
Registry NumbersSources
Reaxys:1738860Reaxys
CAS:112-53-8KEGG COMPOUND
CAS:112-53-8ChemIDplus
CAS:112-53-8NIST Chemistry WebBook
Citations