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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 04:42:23 UTC
Update Date2022-03-07 03:17:57 UTC
HMDB IDHMDB0062618
Secondary Accession Numbers
  • HMDB62618
Metabolite Identification
Common Name2,3-dinor-6-oxoprostaglandin F1alpha
Description2,3-dinor-6-oxoprostaglandin F1alpha is also known as 2,3-Dinor-6-keto-PGF1alpha or 2,3-DKPGF1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha is considered to be practically insoluble (in water) and acidic. 2,3-dinor-6-oxoprostaglandin F1alpha can be synthesized from prostaglandin F1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha can be synthesized into 19-hydroxy-2,3-dinor-6-oxoprostaglandin F1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha is an eicosanoid lipid molecule
Structure
Data?1563866337
Synonyms
Chemical FormulaC18H30O6
Average Molecular Weight342.432
Monoisotopic Molecular Weight342.204238686
IUPAC Name5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-4-oxopentanoic acid
Traditional Name2,3-dinor, 6-keto-PGF1α
CAS Registry Number64700-71-6
SMILES
[H]\C(=C(\[H])[C@@]1([H])[C@]([H])(O)C[C@]([H])(O)[C@]1([H])CC(=O)CCC(O)=O)[C@@]([H])(O)CCCCC
InChI Identifier
InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1
InChI KeyDNKGWNLXBRCUCF-NLOSNHEGSA-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
  • Fatty alcohol
  • Medium-chain keto acid
  • Gamma-keto acid
  • Cyclopentanol
  • Keto acid
  • Cyclic alcohol
  • Secondary alcohol
  • Ketone
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.91 g/lALOGPS
LogP1.10ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
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 IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5283084
PDB IDNot Available
ChEBI ID73944
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. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.