| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-09-30 22:53:31 UTC |
|---|
| Update Date | 2020-04-22 15:10:28 UTC |
|---|
| BMDB ID | BMDB0002277 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | 2,3-Dinor-6-keto-prostaglandin F1 a |
|---|
| Description | 2,3-Dinor-6-keto-prostaglandin F1 a 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 2,3-Dinor-6-keto-prostaglandin F1 a. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 2,3-Dinor-11b-PGF2a | HMDB | | 2,3-Dinor-6-keto-prostaglandin F1 alpha | HMDB | | 9S,11S,13S-Trihydroxy-2,3-dinor-5Z,13E-prostadienoate | HMDB | | 9S,11S,13S-Trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid | HMDB | | 5-[(1R,2R,3S,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-4-oxopentanoate | Generator, HMDB | | 2,3-Dinor-6-keto-prostaglandin F1 a | Generator | | 2,3-Dinor-6-keto-prostaglandin F1 α | Generator, HMDB |
|
|---|
| Chemical Formula | C18H30O6 |
|---|
| Average Molecular Weight | 342.4272 |
|---|
| Monoisotopic Molecular Weight | 342.204238692 |
|---|
| IUPAC Name | 5-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-4-oxopentanoic acid |
|---|
| Traditional Name | 5-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-4-oxopentanoic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O |
|---|
| 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 Key | DNKGWNLXBRCUCF-FNQTXCPHSA-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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Fatty Acyls |
|---|
| Sub Class | Eicosanoids |
|---|
| Direct Parent | Prostaglandins 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 Framework | Aliphatic homomonocyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Status | Expected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
