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Showing metabocard for 6-Ketoprostaglandin E1 (BMDB0004241)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:08:46 UTC
Update Date2020-04-22 15:13:35 UTC
BMDB IDBMDB0004241
Secondary Accession Numbers
  • BMDB04241
Metabolite Identification
Common Name6-Ketoprostaglandin E1
Description6-Ketoprostaglandin E1, also known as 6-keto-pge1, 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, 6-ketoprostaglandin E1 is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on 6-Ketoprostaglandin E1.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
6-Keto-pge1ChEBI
6-Keto-prostaglandin e1ChEBI
6-oxo-PGE1ChEBI
6-Oxoprostaglandin e1ChEBI, HMDB, MeSH
6,9-dioxo-11R,15S-Dihydroxy-13E-prostenoateHMDB
6,9-dioxo-11R,15S-Dihydroxy-13E-prostenoic acidHMDB
6-keto PGE1HMDB
6-KPGE1HMDB
6-oxo-Prostaglandin e1HMDB
Chemical FormulaC20H32O6
Average Molecular Weight368.4645
Monoisotopic Molecular Weight368.219888756
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number67786-53-2
SMILESNot Available
InChI Identifier
InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1
InChI KeyROUDCKODIMKLNO-CTBSXBMHSA-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
  • Fatty alcohol
  • Hydroxy fatty acid
  • Keto fatty acid
  • Cyclopentanol
  • Cyclic alcohol
  • Cyclic ketone
  • Secondary alcohol
  • Ketone
  • Carboxylic acid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • 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 LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0004241
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023346
KNApSAcK IDNot Available
Chemspider ID4444412
KEGG Compound IDC05962
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID7036
PubChem Compound5280889
PDB IDNot Available
ChEBI ID28269
References
Synthesis ReferenceTanaka, T.; Hazato, A.; Bannai, K.; Okamura, N.; Sugiura, S.; Manabe, K.; Kurozumi, S.; Suzuki, M.; Noyori, R. Prostaglandin chemistry. XXIII. Short synthesis of 6-oxoprostaglandin E1 and 6-oxoprostaglandin F1a Tetrahedron Letters (1984), 25(43), 4947-50.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available