| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:54:18 UTC |
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| Update Date | 2020-04-22 15:10:43 UTC |
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| BMDB ID | BMDB0002341 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 8-iso-15-keto-PGE2 |
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| Description | 8-iso-15-keto-PGE2 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. Based on a literature review very few articles have been published on 8-iso-15-keto-PGE2. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (5Z,8b,11a,13E)-11-Hydroxy-9,15-dioxo-prosta-5,13-dien-1-Oate | HMDB | | (5Z,8b,11a,13E)-11-Hydroxy-9,15-dioxo-prosta-5,13-dien-1-Oic acid | HMDB | | 8-Iso-15-keto-prostaglandine e2 | HMDB | | (5Z)-7-[(1S,2R)-3-Hydroxy-5-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]hept-5-enoate | HMDB |
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| Chemical Formula | C20H30O5 |
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| Average Molecular Weight | 350.4492 |
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| Monoisotopic Molecular Weight | 350.20932407 |
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| IUPAC Name | (5Z)-7-[(1S,2R)-3-hydroxy-5-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]hept-5-enoic acid |
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| Traditional Name | 8-iso-15-keto-PGE2 |
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| CAS Registry Number | 914804-63-0 |
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| SMILES | CCCCCC(=O)\C=C\[C@H]1C(O)CC(=O)[C@H]1C\C=C/CCCC(O)=O |
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| InChI Identifier | InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19?/m0/s1 |
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| InChI Key | YRTJDWROBKPZNV-LSAJIUQUSA-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
- Cyclopentanol
- Unsaturated fatty acid
- Fatty acid
- Alpha,beta-unsaturated ketone
- Cyclic alcohol
- Acryloyl-group
- Enone
- Secondary alcohol
- Cyclic ketone
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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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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