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Record Information
Version1.0
Creation Date2016-09-30 22:54:27 UTC
Update Date2020-05-21 16:29:07 UTC
BMDB IDBMDB0002350
Secondary Accession Numbers
  • BMDB02350
Metabolite Identification
Common NameOctadecanol
DescriptionOctadecanol, also known as octadecanol or octadecanol, belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, octadecanol is considered to be a fatty alcohol lipid molecule. Octadecanol exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Dhap(18:0) and octadecanol can be converted into dhap(18:0E) and stearic acid; which is mediated by the enzyme dihydroxyacetone phosphate acyltransferase and alkyldihydroxyacetonephosphate synthase. In cattle, octadecanol is involved in the metabolic pathway called plasmalogen synthesis pathway.
Structure
Thumb
Synonyms
ValueSource
1-HydroxyoctadecaneChEBI
1-OctadecanolChEBI
N-1-OctadecanolChEBI
N-OctadecanolChEBI
N-Octadecyl alcoholChEBI
Stearyl alcoholChEBI
StearylalkoholChEBI
Octadecan-1-olHMDB
Alcohol stearylicusHMDB
Alfol 18HMDB
Atalco SHMDB
Octadecanol NFHMDB
Octadecyl alcoholHMDB
StearalHMDB
Stearic alcoholHMDB
StearolHMDB
Stearyl alcohol pureHMDB
Chemical FormulaC18H38O
Average Molecular Weight270.4937
Monoisotopic Molecular Weight270.292265838
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number112-92-5
SMILESNot Available
InChI Identifier
InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChI KeyGLDOVTGHNKAZLK-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentLong-chain fatty alcohols
Alternative Parents
Substituents
  • Long chain fatty alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Cytoplasm
  • Membrane
  • Myelin sheath
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point59.5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.1e-06 mg/mL at 25 °CNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Biological Properties
Cellular Locations
  • Cell membrane
  • Cytoplasm
  • Membrane
  • Myelin sheath
Biospecimen Locations
  • Adipose Tissue
  • Bladder
  • Brain
  • Epidermis
  • Eye Lens
  • Fibroblasts
  • Intestine
  • Kidney
  • Liver
  • Mammary Gland
  • Neuron
  • Ovary
  • Pancreas
  • Placenta
  • Platelet
  • Prostate Tissue
  • Skeletal Muscle
  • Spleen
  • Testis
  • Thyroid Gland
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Adipose TissueExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
BladderExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
BrainExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
EpidermisExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Eye LensExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
FibroblastsExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
IntestineExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
KidneyExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
NeuronExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
OvaryExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
PancreasExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
PlacentaExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
PlateletExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Prostate TissueExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Skeletal MuscleExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
SpleenExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
TestisExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Thyroid GlandExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0002350
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB012764
KNApSAcK IDC00029422
Chemspider ID7928
KEGG Compound IDD01924
BioCyc IDCPD-7873
BiGG IDNot Available
Wikipedia LinkStearyl_alcohol
METLIN ID6640
PubChem Compound8221
PDB IDNot Available
ChEBI ID32154
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Lipid transport and metabolism
Specific function:
Not Available
Gene Name:
GNPAT
Uniprot ID:
A4IF87
Molecular weight:
77664.0
Reactions
DHAP(18:0) + Octadecanol → DHAP(18:0e) + Stearic aciddetails
General function:
Energy production and conversion
Specific function:
Catalyzes the oxidation of D-2-hydroxyglutarate to alpha-ketoglutarate.
Gene Name:
D2HGDH
Uniprot ID:
Q1JPD3
Molecular weight:
59056.0
Reactions
DHAP(18:0) + Octadecanol → DHAP(18:0e) + Stearic aciddetails