Record Information |
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Version | 2.0 |
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Created at | 2024-09-11 21:23:04 UTC |
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Updated at | 2024-09-11 21:23:05 UTC |
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NP-MRD ID | NP0339351 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | PGP(18:3(9Z,12Z,15Z)/18:0) |
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Description | PGP(18:3(9Z,12Z,15Z)/18:0), Also known as PGP(18:3/18:0) Or PGP(36:3), 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. PGP also serves as a precursor for the synthesis of cardiolipin. PGP(18:3(9Z,12Z,15Z)/18:0) Is an extremely weak basic (essentially neutral) compound (based on its pKa). Finally, phosphatidylglycerol is formed by the action of specific phosphatases. PGP(18:3(9Z,12Z,15Z)/18:0) Is a phosphatidylglycerolphosphate or glycerophospholipid (PGP or GP). It is well established that the concentration of Phosphatidylglycerolphosphate increases during fetal development. |
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Structure | [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,39-40,43H,3-4,6,8-10,12,14-16,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,19-17-/t39-,40+/m0/s1 |
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Synonyms | Value | Source |
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1-a-Linolenoyl-2-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) | HMDB | 1-alpha-Linolenoyl-2-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) | HMDB | 3-sn-Phosphatidyl-1'-sn-glycerol 3'-phosphoric acid | HMDB | PGP(18:3/18:0) | HMDB | PGP(18:3n3/18:0) | HMDB | PGP(18:3W3/18:0) | HMDB | PGP(36:3) | HMDB | 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) | HMDB | PGP(18:3(9Z,12Z,15Z)/18:0) | Lipid Annotator | [(2S)-2-Hydroxy-3-({hydroxy[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphonate | Generator |
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Chemical Formula | C42H78O13P2 |
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Average Mass | 853.0084 Da |
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Monoisotopic Mass | 852.49177 Da |
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IUPAC Name | [(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphonic acid |
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Traditional Name | (2S)-2-hydroxy-3-{[hydroxy((2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(octadecanoyloxy)propoxy)phosphoryl]oxy}propoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC |
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InChI Identifier | InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,39-40,43H,3-4,6,8-10,12,14-16,18,20-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,19-17-/t39-,40+/m0/s1 |
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InChI Key | YIYLOIJYHDFGPQ-ZOIXFCGWSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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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
- Fatty acid ester
- Monoalkyl phosphate
- Dialkyl phosphate
- Dicarboxylic acid or derivatives
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Fatty acyl
- Secondary alcohol
- Carboxylic acid ester
- Carboxylic acid derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- 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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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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