Record Information
Version1.0
Creation Date2020-03-31 16:40:35 UTC
Update Date2020-06-04 21:44:59 UTC
BMDB IDBMDB0109637
Secondary Accession NumbersNone
Metabolite Identification
Common NameEicosanoic acid
DescriptionArachidic acid, also known as eicosanoic acid or eicosanoate, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Based on a literature review a significant number of articles have been published on Arachidic acid.
Structure
Thumb
Synonyms
ValueSource
Arachic acidChEBI
Arachidinic acidChEBI
ArachinsaeureChEBI
C20:0ChEBI
CH3-[CH2]18-COOHChEBI
Eicosanoic acidChEBI
N-Eicosanoic acidChEBI
ArachateGenerator
ArachidinateGenerator
EicosanoateGenerator
N-EicosanoateGenerator
ArachidateGenerator
Eicosoic acidChEBI, HMDB
Icosanoic acidChEBI, HMDB
EicosoateGenerator, HMDB
IcosanoateGenerator, HMDB
Arachidic acidHMDB
C 20HMDB
C20 fatty acidHMDB
FA(20:0)HMDB
Peanut acidHMDB
n-Eicosanic acidHMDB
Chemical FormulaC20H40O2
Average Molecular Weight312.5304
Monoisotopic Molecular Weight312.302830524
IUPAC Nameicosanoic acid
Traditional Namearachidic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCC(O)=O
InChI Identifier
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
InChI KeyVKOBVWXKNCXXDE-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentLong-chain fatty acids
Alternative Parents
Substituents
  • Long-chain fatty acid
  • Straight chain fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected and Quantified
Origin
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Adiposome
  • Cell membrane
  • Cytoplasm
  • Membrane
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP8.53ALOGPS
logP8.03ChemAxon
logS-6.8ALOGPS
pKa (Strongest Acidic)4.95ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 ŲChemAxon
Rotatable Bond Count18ChemAxon
Refractivity95.49 m³·mol⁻¹ChemAxon
Polarizability42.91 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Adiposome
  • Cell membrane
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Adipose Tissue
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Adipose TissueDetected and Quantified1151.89 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
Adipose TissueDetected and Quantified1439.86 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
Adipose TissueDetected and Quantified1177.49 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
Adipose TissueDetected and Quantified1190.28 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
Adipose TissueDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Adipose TissueDetected and Quantified147.6 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • C. Mapiye, T.D.Tu...
details
Adipose TissueDetected and Quantified140.27 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • C. Mapiye, T.D.Tu...
details
Adipose TissueDetected and Quantified6664.12 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • C. Mapiye, T.D.Tu...
details
Adipose TissueDetected and Quantified7304.0895 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • C. Mapiye, T.D.Tu...
details
Adipose TissueDetected and Quantified3117.36 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • C. Mapiye, T.D.Tu...
details
Adipose TissueDetected and Quantified2096.69 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • C. Mapiye, T.D.Tu...
details
Adipose TissueDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Adipose TissueDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Adipose TissueDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0002212
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002927
KNApSAcK IDC00001209
Chemspider ID10035
KEGG Compound IDC06425
BioCyc IDARACHIDIC_ACID
BiGG ID48230
Wikipedia LinkArachidic_acid
METLIN ID401
PubChem Compound10467
PDB IDNot Available
ChEBI ID28822
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available