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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 23:52:56 UTC
Update Date2021-09-26 22:56:12 UTC
HMDB IDHMDB0246871
Secondary Accession NumbersNone
Metabolite Identification
Common Name5,8,11,14-Icosatetraenoic Acid
Description5E,8Z,11Z,14Z-Eicosatetraenoic acid, also known as eicosa-5,8,11,14-tetraenoic acid or 5,8,11,14-20:4, 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 small amount of articles have been published on 5E,8Z,11Z,14Z-Eicosatetraenoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). 5,8,11,14-icosatetraenoic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 5,8,11,14-Icosatetraenoic Acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
5,8,11,14-20:4ChEBI
5,8,11,14-Eicosatetraenoic acidChEBI
5,8,11,14-Eicosatetraenoic acidsChEBI
5,8,11,14-Icosatetraenoic acidChEBI
5,8,11,14-Icosatetraenoic acidsChEBI
C20:4, N-6,9,12,15ChEBI
Eicosa-5,8,11,14-tetraenoic acidChEBI
Eicosa-5,8,11,14-tetraenoic acidsChEBI
Icosa-5,8,11,14-tetraenoic acidsChEBI
5,8,11,14-EicosatetraenoateGenerator
5,8,11,14-IcosatetraenoateGenerator
Eicosa-5,8,11,14-tetraenoateGenerator
5E,8Z,11Z,14Z-EicosatetraenoateGenerator
Icosa-5,8,11,14-tetraenoateHMDB
Chemical FormulaC20H32O2
Average Molecular Weight304.474
Monoisotopic Molecular Weight304.24023027
IUPAC Nameicosa-5,8,11,14-tetraenoic acid
Traditional Name5,8,11,14-icosatetraenoic acid
CAS Registry NumberNot Available
SMILES
CCCCCC=CCC=CCC=CCC=CCCCC(O)=O
InChI Identifier
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)
InChI KeyYZXBAPSDXZZRGB-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
  • Unsaturated 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
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID226
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound231
PDB IDNot Available
ChEBI ID36306
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]