| Record Information |
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| Version | 2.0 |
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| Creation Date | 2015-09-08 19:35:57 -0600 |
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| Update Date | 2016-09-13 16:36:07 -0600 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | PGP(17:0cycw7c/19:iso) |
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| Description | PGP(17:0cycw7c/19:iso) belongs to the class of glycerophosphoglycerophosphates, also called phosphatidylglycerophosphates (PGPs). These lipids contain a common glycerophosphate skeleton linked to at least one fatty acyl chain and a glycero-3-phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. PGP(17:0cycw7c/19:iso), in particular, consists of one heptadec-9-10-cyclo-anoyl chain to the C-1 atom, and one 17-methylocatdecanoyl to the C-2 atom. In E. coli, PGPs can be found in the cytoplasmic membrane. The are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to Phosphatidylglycerols (PGs) by the enzyme Phosphatidylglycerophosphatase. |
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| Structure | |
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| Synonyms: | Not Available |
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| Chemical Formula: | C42H82O13P2 |
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| Weight: | Average: 857.053
Monoisotopic: 856.523066696 |
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| InChI Key: | OQLGDGYTSXEVAG-UXYHKRDYSA-N |
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| InChI: | InChI=1S/C42H82O13P2/c1-4-5-6-22-27-37-31-38(37)28-23-18-16-20-24-29-41(44)51-34-40(35-54-57(49,50)53-33-39(43)32-52-56(46,47)48)55-42(45)30-25-19-15-13-11-9-7-8-10-12-14-17-21-26-36(2)3/h36-40,43H,4-35H2,1-3H3,(H,49,50)(H2,46,47,48)/t37?,38?,39-,40+/m0/s1 |
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| CAS number: | Not Available |
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| IUPAC Name: | [(2S)-3-({[(2R)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-[(17-methyloctadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid |
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| Traditional IUPAC Name: | (2S)-3-{[(2R)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-[(17-methyloctadecanoyl)oxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid |
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| SMILES: | [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCC1CC1CCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phosphatidylglycerophosphates. These are glycerophosphoglycerophosphates in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Glycerophospholipids |
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| Sub Class | Glycerophosphoglycerophosphates |
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| Direct Parent | Phosphatidylglycerophosphates |
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| Alternative Parents | |
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| Substituents | - Diacylglycerophosphoglycerophosphate
- Sn-glycerol-3-phosphate
- Dialkyl phosphate
- Monoalkyl phosphate
- Fatty acid ester
- Fatty acyl
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Carboxylic acid ester
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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: | -3 |
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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(17:0cycw7c/19:iso/17:0cycw7c/19:iso)) | PW001973 |    |
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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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