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Showing metabocard for Prostaglandin J2 (BMDB0002710)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:01:19 UTC
Update Date2020-05-11 20:45:15 UTC
BMDB IDBMDB0002710
Secondary Accession Numbers
  • BMDB02710
Metabolite Identification
Common NameProstaglandin J2
DescriptionProstaglandin J2, also known as PGJ2 or 9-deoxy-δ-9-PGD2, belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Thus, prostaglandin J2 is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on Prostaglandin J2.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
9-Deoxy-delta-9-PGD2ChEBI
9-Deoxy-delta-9-prostaglandin D2ChEBI
PGJ2ChEBI
9-Deoxy-δ-9-PGD2Generator
9-Deoxy-δ-9-prostaglandin D2Generator
11-oxo-15S-Hydroxy-5Z,8Z,13E-prostatrienoateHMDB
11-oxo-15S-Hydroxy-5Z,8Z,13E-prostatrienoic acidHMDB
Chemical FormulaC20H30O4
Average Molecular Weight334.4498
Monoisotopic Molecular Weight334.214409448
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number60203-57-8
SMILESNot Available
InChI Identifier
InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
InChI KeyUQOQENZZLBSFKO-POPPZSFYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassEicosanoids
Direct ParentProstaglandins and related compounds
Alternative Parents
Substituents
  • Prostaglandin skeleton
  • Long-chain fatty acid
  • Hydroxy fatty acid
  • Fatty acid
  • Unsaturated fatty acid
  • Ketone
  • Cyclic ketone
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organooxygen compound
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic 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
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Biological Properties
Cellular Locations
  • Cell membrane
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Neuron
  • Platelet
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
NeuronExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
PlateletExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0002710
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023049
KNApSAcK IDNot Available
Chemspider ID4444407
KEGG Compound IDC05957
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID3464
PubChem Compound5280884
PDB IDNot Available
ChEBI ID27485
References
Synthesis ReferenceZanoni, Giuseppe; Porta, Alessio; De Toma, Quintino; Castronovo, Francesca; Vidari, Giovanni. First Enantioselective Total Synthesis of (8S,12R,15S)-Prostaglandin J2. Journal of Organic Chemistry (2003), 68(16), 6437-6439.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available