| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:02:19 UTC |
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| Update Date | 2020-04-22 15:11:35 UTC |
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| BMDB ID | BMDB0002982 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Prostaglandin B1 |
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| Description | Prostaglandin B1, also known as PGB1, 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, prostaglandin B1 is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on Prostaglandin B1. |
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| Structure | |
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| Synonyms | | Value | Source |
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| PGB1 | ChEBI | | (13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-Oate | HMDB | | (13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-Oic acid | HMDB | | 9-oxo-15S-Hydroxy-8(12),13E-prostadienoate | HMDB | | 9-oxo-15S-Hydroxy-8(12),13E-prostadienoic acid | HMDB | | Prostaglandin-b1 | HMDB | | Prostaglandin b1 | MeSH |
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| Chemical Formula | C20H32O4 |
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| Average Molecular Weight | 336.4657 |
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| Monoisotopic Molecular Weight | 336.230059512 |
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| IUPAC Name | 7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoic acid |
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| Traditional Name | prostaglandin-B1 |
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| CAS Registry Number | 13345-51-2 |
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| SMILES | CCCCC[C@H](O)\C=C\C1=C(CCCCCCC(O)=O)C(=O)CC1 |
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| InChI Identifier | InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1 |
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| InChI Key | YBHMPNRDOVPQIN-VSOYFRJCSA-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
- Fatty alcohol
- Hydroxy fatty acid
- Ketone
- Cyclic ketone
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- 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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