Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB001512 |
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Identification |
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Name: |
1,2-Diacyl-sn-glycerol (didodecanoyl, n-C12:0) |
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Description: | 1,2-diacyl-sn-glycerol (didodecanoyl, n-c12:0) belongs to the class of Diacylglycerols. These are glycerides consisting of two fatty acid chains covalently bonded to a glycerol molecule through ester linkages. (inferred from compound structure) |
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Structure |
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Synonyms: | - (2S)-2-dodecanoyloxy-3-hydroxypropyl dodecanoate
- (2S)-2-Dodecanoyloxy-3-hydroxypropyl dodecanoic acid
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Chemical Formula: |
C27H52O5 |
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Average Molecular Weight: |
456.6988 |
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Monoisotopic Molecular
Weight: |
456.381474774 |
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InChI Key: |
OQQOAWVKVDAJOI-VWLOTQADSA-N |
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InChI: | InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-24-25(23-28)32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3/t25-/m0/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | (2S)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl dodecanoate |
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Traditional IUPAC Name: |
(2S)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl dodecanoate |
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SMILES: | CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. |
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Kingdom |
Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class |
Glycerolipids |
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Sub Class | Diradylglycerols |
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Direct Parent |
1,2-diacylglycerols |
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Alternative Parents |
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Substituents |
- 1,2-acyl-sn-glycerol
- Fatty acid ester
- Fatty acyl
- Dicarboxylic acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework |
Aliphatic acyclic compounds |
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External Descriptors |
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Physical Properties |
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State: |
Not Available |
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Charge: | 0 |
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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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Pathways: |
- Lipopolysaccharide biosynthesis pae00540
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Spectra |
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Spectra: |
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References |
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References: |
- Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
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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 | 151838 | Kegg ID | Not Available | ChemSpider ID | 133825 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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