| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-09-30 23:01:16 UTC |
|---|
| Update Date | 2020-04-22 15:11:16 UTC |
|---|
| BMDB ID | BMDB0002689 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | 13,14-Dihydro PGE1 |
|---|
| Description | 13,14-Dihydro PGE1 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, 13,14-dihydro PGE1 is considered to be an eicosanoid. Based on a literature review very few articles have been published on 13,14-Dihydro PGE1. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| (15S)-Dihydroprostaglandin e1 | HMDB | | 11,15-Dihydroxy-9-ketoprostanoate | HMDB | | 11,15-Dihydroxy-9-ketoprostanoic acid | HMDB | | 11a,15-Dihydroxy-9-oxoprostanoate | HMDB | | 11a,15-Dihydroxy-9-oxoprostanoic acid | HMDB | | 13,14-dihydro-PGE1 | HMDB | | 13,14-Dihydroprostaglandin e1 | HMDB, MeSH | | 3-Hydroxy-2-(3-hydroxyoctyl)-5-oxo-cyclopentaneheptanoate | HMDB | | 3-Hydroxy-2-(3-hydroxyoctyl)-5-oxo-cyclopentaneheptanoic acid | HMDB | | dihydro-PGE1 | HMDB | | Dihydroprostaglandin e1 | HMDB | | PGE0 | HMDB | | Prostaglandin e0 | HMDB |
|
|---|
| Chemical Formula | C20H36O5 |
|---|
| Average Molecular Weight | 356.4968 |
|---|
| Monoisotopic Molecular Weight | 356.256274262 |
|---|
| IUPAC Name | 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid |
|---|
| Traditional Name | dihydro-pge1 |
|---|
| CAS Registry Number | 19313-28-1 |
|---|
| SMILES | CCCCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |
|---|
| InChI Identifier | InChI=1S/C20H36O5/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/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1 |
|---|
| InChI Key | DPOINJQWXDTOSF-DODZYUBVSA-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
- Long-chain fatty acid
- Hydroxy fatty acid
- Cyclopentanol
- Fatty acid
- Cyclic alcohol
- Ketone
- Cyclic ketone
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Aliphatic homomonocyclic compound
|
|---|
| Molecular Framework | Aliphatic homomonocyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Expected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
|
|---|
| 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 | |
|---|
