| Record Information |
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| Version | 2.0 |
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| Creation Date | 2012-07-30 14:55:08 -0600 |
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| Update Date | 2015-06-03 17:21:02 -0600 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | Octadecanoyl-phosphate (n-C18:1) |
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| Description | Caprylic acid belongs to the class of Straight Chain Fatty Acids. These are fatty acids with a straight aliphatic chain. (inferred from compound structure)Caprylic acid is invovled in Biosynthesis of alkaloids derived from terpenoid and polyketide, Biosynthesis of plant secondary metabolites, and Fatty acid biosynthesis. (KEGG)Caprylic acid is the common name for the eight-carbon saturated fatty acid known by the systematic name octanoic acid. It is found naturally in the milk of various mammals, and it is a minor constituent of coconut oil and palm kernel oil. It is an oily liquid that is minimally soluble in water with a slightly unpleasant rancid-like smell and taste. Two other acids are named after goats: caproic (C6) and capric (C10). Along with caprylic acid these total 15% in goat milk fat. (WikiPedia) |
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| Structure | |
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| Synonyms: | - (Z)-octadec-9-enoyl phosphate
- (Z)-Octadec-9-enoyl phosphoric acid
- Octadecanoyl-phosphoric acid (N-C18:1)
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| Chemical Formula: | C18H33O5P |
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| Weight: | Average: 360.4254
Monoisotopic: 360.206560678 |
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| InChI Key: | VHHMNNRGNQWMKU-KTKRTIGZSA-L |
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| InChI: | InChI=1S/C18H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22/h9-10H,2-8,11-17H2,1H3,(H2,20,21,22)/p-2/b10-9- |
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| CAS number: | Not Available |
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| IUPAC Name: | [(9Z)-octadec-9-enoyloxy]phosphonate |
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| Traditional IUPAC Name: | (9Z)-octadec-9-enoyloxyphosphonate |
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| SMILES: | CCCCCCCC\C=C/CCCCCCCC(=O)OP([O-])([O-])=O |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic phosphoric acids and derivatives |
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| Sub Class | Phosphate esters |
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| Direct Parent | Acyl monophosphates |
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| Alternative Parents | |
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| Substituents | - Acyl monophosphate
- Carboxylic acid salt
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Organooxygen compound
- Carbonyl group
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State: | Not Available |
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| Charge: | -2 |
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| Melting point: | Not Available |
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| Experimental Properties: | |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations: | Membrane |
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| Reactions: | |
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| SMPDB Pathways: | Not Available |
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| KEGG Pathways: | Not Available |
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| EcoCyc Pathways: | Not Available |
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| Concentrations |
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| Not Available |
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| Spectra |
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| Spectra: | |
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| References |
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| References: | Not Available |
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| Synthesis Reference: | Not Available |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| Links |
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| External Links: | | Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | 20981657 | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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