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Showing metabocard for 12-Keto-leukotriene B4 (BMDB0004234)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:08:41 UTC
Update Date2020-04-22 15:13:33 UTC
BMDB IDBMDB0004234
Secondary Accession Numbers
  • BMDB04234
Metabolite Identification
Common Name12-Keto-leukotriene B4
Description12-Keto-leukotriene B4, also known as 12-keto-LTB4, belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated. Thus, 12-keto-leukotriene B4 is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on 12-Keto-leukotriene B4.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoeicosa-6,8,10,14-tetraenoic acidChEBI
12-Keto-LTB4ChEBI
12-oxo-LTB4ChEBI
12-Oxoleukotriene b4ChEBI
5(S)-Hydroxy-12-oxo-6(Z),8(e),10(e),14(Z)-eicosatetraenoic acidChEBI
5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoic acidChEBI
5S-Hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acidChEBI
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoeicosa-6,8,10,14-tetraenoateGenerator
5(S)-Hydroxy-12-oxo-6(Z),8(e),10(e),14(Z)-eicosatetraenoateGenerator
5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoateGenerator
5-Hydroxy-12-oxo-δ5,8,11,14-eicosapolyenoateGenerator
5-Hydroxy-12-oxo-δ5,8,11,14-eicosapolyenoic acidGenerator
5S-Hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoateGenerator
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoicosa-6,8,10,14-tetraenoateHMDB
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acidHMDB
12-Dehydro-leukotriene b4HMDB
Chemical FormulaC20H30O4
Average Molecular Weight334.4498
Monoisotopic Molecular Weight334.214409448
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number136696-10-1
SMILESNot Available
InChI Identifier
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1
InChI KeySJVWVCVZWMJXOK-NOJHDUNKSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassEicosanoids
Direct ParentLeukotrienes
Alternative Parents
Substituents
  • Leukotriene
  • Hydroxyeicosatetraenoic acid
  • Long-chain fatty acid
  • Hydroxy fatty acid
  • Keto fatty acid
  • Fatty acid
  • Unsaturated fatty acid
  • Alpha,beta-unsaturated ketone
  • Acryloyl-group
  • Enone
  • Ketone
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Cytoplasm
  • Membrane
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP3.884Not Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Biological Properties
Cellular Locations
  • Cell membrane
  • Cytoplasm
  • Membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0004234
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023341
KNApSAcK IDNot Available
Chemspider ID4444399
KEGG Compound IDC05949
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5280876
PDB IDNot Available
ChEBI ID27814
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available