| Record Information |
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| Version | 2.0 |
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| Creation Date | 2015-09-08 20:07:52 -0600 |
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| Update Date | 2015-12-09 12:15:47 -0700 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | DG(12:0(3-OH)/17:0cycw7c/0:0) |
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| Description | DG(12:0(3-OH)/17:0cycw7c/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(12:0(3-OH)/17:0cycw7c/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. |
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| Structure | |
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| Synonyms: | Not Available |
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| Chemical Formula: | C32H60O6 |
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| Weight: | Average: 540.826
Monoisotopic: 540.438989652 |
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| InChI Key: | GVYJEDYVEZLPBE-VXBYCJGMSA-N |
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| InChI: | InChI=1S/C32H60O6/c1-3-5-7-9-10-13-17-21-29(33)24-32(36)38-26-30(34)25-37-31(35)22-18-14-11-12-16-20-28-23-27(28)19-15-8-6-4-2/h27-30,33-34H,3-26H2,1-2H3/t27?,28?,29?,30-/m1/s1 |
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| CAS number: | Not Available |
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| IUPAC Name: | (2R)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 3-hydroxydodecanoate |
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| Traditional IUPAC Name: | (2R)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 3-hydroxydodecanoate |
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| SMILES: | [H][C@@](O)(COC(=O)CCCCCCCC1CC1CCCCCC)COC(=O)CC(O)CCCCCCCCC |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3. |
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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 | 1,3-diacylglycerols |
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| Alternative Parents | |
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| Substituents | - 1,3-acyl-sn-glycerol
- Fatty alcohol
- Beta-hydroxy acid
- Fatty acid ester
- Dicarboxylic acid or derivatives
- Fatty acyl
- Hydroxy acid
- Carboxylic acid ester
- Secondary alcohol
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Alcohol
- Organooxygen compound
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic 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: | 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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| SMPDB Pathways: | | phospholipid biosynthesis (CL(12:0(3-OH)/17:0cycw7c/12:0(3-OH)/17:0cycw7c)) | PW001922 |    | | phospholipid biosynthesis (CL(12:0(3-OH)/17:0cycw7c/12:0/12:0)) | PW001923 |    |
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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: | - 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 | Not Available | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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