| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:49:28 UTC |
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| Update Date | 2020-05-11 20:22:57 UTC |
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| BMDB ID | BMDB0001979 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 6,15-Diketo,13,14-dihydro-PGF1a |
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| Description | 6,15-Diketo,13,14-dihydro-PGF1a, also known as 6,15DK,13,14DH-PGF1a, 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 a significant number of articles have been published on 6,15-Diketo,13,14-dihydro-PGF1a. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 6,15-Dioxo-9S,11R-dihydroxy-13E-prostenoic acid | ChEBI | | 6,15DK,13,14DH-PGF1a | ChEBI | | 6,15-Dioxo-9S,11R-dihydroxy-13E-prostenoate | Generator | | 6,15-diketo,13,14-dihydro-PGF1alpha | HMDB | | 6,15-diketo-13,14-dihydro-PGF1a | HMDB | | 6,15-Diketo,13,14-dihydroprostaglandin F1a | Generator, HMDB | | 6,15-Diketo,13,14-dihydroprostaglandin F1α | Generator, HMDB |
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| Chemical Formula | C20H32O6 |
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| Average Molecular Weight | 368.4645 |
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| Monoisotopic Molecular Weight | 368.219888756 |
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| IUPAC Name | 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]-6-oxoheptanoic acid |
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| Traditional Name | 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]-6-oxoheptanoic acid |
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| CAS Registry Number | 63446-59-3 |
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| SMILES | CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O |
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| 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/h10-11,16-19,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t16-,17-,18-,19+/m1/s1 |
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| InChI Key | VKPWUQVGTPVEMU-QVPQFPIISA-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
- Keto fatty acid
- Cyclopentanol
- Alpha,beta-unsaturated ketone
- Cyclic alcohol
- Enone
- Acryloyl-group
- Secondary alcohol
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organic oxygen compound
- Alcohol
- 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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