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CHEBI:84239 - 3,7,11-trimethyldodecan-1-ol

ChEBI IDCHEBI:84239
ChEBI Name3,7,11-trimethyldodecan-1-ol
Stars
DefinitionA fatty alcohol that is 1-dodecanol substituted by methyl groups at positions 3, 7 and 11. Metabolite observed in cancer metabolism.
Last Modified25 October 2023
Submitternamrata
DownloadsMolfile
FormulaC15H32O
Net Charge0
Average Mass228.420
Monoisotopic Mass228.24532
SMILESCC(C)CCCC(C)CCCC(C)CCO
InChIInChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3
InChIKeyHDPUXESLSOZSIB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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)
3,7,11-trimethyldodecan-1-ol (CHEBI:84239) has role human metabolite (CHEBI:77746)
3,7,11-trimethyldodecan-1-ol (CHEBI:84239) has role plant metabolite (CHEBI:76924)
3,7,11-trimethyldodecan-1-ol (CHEBI:84239) is a alkyl alcohol (CHEBI:50584)
3,7,11-trimethyldodecan-1-ol (CHEBI:84239) is a medium-chain fatty alcohol (CHEBI:197506)
3,7,11-trimethyldodecan-1-ol (CHEBI:84239) is a primary alcohol (CHEBI:15734)
IUPAC Name 
3,7,11-trimethyldodecan-1-ol
Synonym  Source
HexahydrofarnesolChEBI
Registry NumbersSources
Reaxys:1700699Reaxys
CAS:6750-34-1ChemIDplus
Citations