Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2022-09-09 20:20:33 UTC |
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Update Date | 2022-09-22 18:34:47 UTC |
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HMDB ID | HMDB0341312 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Dinor-12-oxophytodienoic Acid |
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Description | Dinor-12-oxophytodienoic Acid, also known as (S,S,Z)-dinor-12-oxo pda, 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, dinor-12-oxophytodienoic Acid is considered to be an octadecanoid. Based on a literature review very few articles have been published on Dinor-12-oxophytodienoic Acid. |
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Structure | [H]\C(CC)=C(/[H])C[C@]1([H])C(=O)C=C[C@]1([H])CCCCCC(O)=O InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/b5-3-/t13-,14-/m0/s1 |
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Synonyms | Value | Source |
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(S,S,Z)-Dinor-12-oxo pda | ChEBI | (S,S,Z)-Dinor-12-oxo-phytodienoic acid | ChEBI | (S,S,Z)-Dinor-opda | ChEBI | 4-oxo-5S-(2Z)-2-Penten-1-yl-2-cyclopentene-1S-hexanoic acid | ChEBI | Dinor-12-oxo pda | ChEBI | (S,S,Z)-Dinor-12-oxo-phytodienoate | Generator | 4-oxo-5S-(2Z)-2-Penten-1-yl-2-cyclopentene-1S-hexanoate | Generator | Dinor-12-oxophytodienoate | Generator |
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Chemical Formula | C16H24O3 |
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Average Molecular Weight | 264.365 |
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Monoisotopic Molecular Weight | 264.172544633 |
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IUPAC Name | 6-[(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]hexanoic acid |
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Traditional Name | 6-[(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]hexanoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]\C(CC)=C(/[H])C[C@]1([H])C(=O)C=C[C@]1([H])CCCCCC(O)=O |
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InChI Identifier | InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/b5-3-/t13-,14-/m0/s1 |
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InChI Key | SZVNKXCDJUBPQO-DWMAKUKJSA-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
- Medium-chain fatty acid
- Cyclic ketone
- Ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
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