| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:01:19 UTC |
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| Update Date | 2020-05-11 20:45:15 UTC |
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| BMDB ID | BMDB0002710 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Prostaglandin J2 |
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| Description | Prostaglandin 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. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 9-Deoxy-delta-9-PGD2 | ChEBI | | 9-Deoxy-delta-9-prostaglandin D2 | ChEBI | | PGJ2 | ChEBI | | 9-Deoxy-δ-9-PGD2 | Generator | | 9-Deoxy-δ-9-prostaglandin D2 | Generator | | 11-oxo-15S-Hydroxy-5Z,8Z,13E-prostatrienoate | HMDB | | 11-oxo-15S-Hydroxy-5Z,8Z,13E-prostatrienoic acid | HMDB |
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| Chemical Formula | C20H30O4 |
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| Average Molecular Weight | 334.4498 |
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| Monoisotopic Molecular Weight | 334.214409448 |
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| IUPAC Name | (5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid |
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| Traditional Name | prostaglandin J2 |
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| CAS Registry Number | 60203-57-8 |
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| SMILES | CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O |
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| 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 |
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| InChI Key | UQOQENZZLBSFKO-POPPZSFYSA-N |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Eicosanoids |
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| Direct Parent | Prostaglandins and related compounds |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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| Synthesis Reference | Zanoni, 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. |
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