Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2017-09-09 03:15:58 UTC |
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Update Date | 2022-11-30 19:25:59 UTC |
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HMDB ID | HMDB0114982 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) |
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Description | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of gamma-linolenic acid at the C-1 position and one chain of gamma-linolenic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids. |
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Structure | [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C39H65O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,37H,3-10,15-16,21-22,27-36H2,1-2H3,(H2,42,43,44)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m1/s1 |
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Synonyms | Value | Source |
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1-gamma-Linolenoyl-2-gamma-linolenoyl-sn-glycero-3-phosphate | HMDB | 1-gamma-Linolenoyl-2-gamma-linolenoyl-sn-phosphatidic acid | HMDB | PA(18:3/18:3) | HMDB | PA(18:3N6/18:3N6) | HMDB | PA(18:3W6/18:3W6) | HMDB | PA(36:6) | HMDB | Phosphatidic acid(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | HMDB | Phosphatidic acid(18:3/18:3) | HMDB | Phosphatidic acid(18:3n6/18:3n6) | HMDB | Phosphatidic acid(18:3W6/18:3W6) | HMDB | Phosphatidic acid(36:6) | HMDB | Phosphatidate(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | HMDB | Phosphatidate(18:3/18:3) | HMDB | Phosphatidate(18:3N6/18:3N6) | HMDB | Phosphatidate(18:3W6/18:3W6) | HMDB | Phosphatidate(36:6) | HMDB | 1-gamma-linolenoyl-2-gamma-linolenoyl-sn-glycero-3-phosphate | SMPDB, HMDB | 1-gamma-linolenoyl-2-gamma-linolenoyl-sn-phosphatidic acid | SMPDB, HMDB | PA(18:3/18:3) | SMPDB, HMDB | PA(18:3n6/18:3n6) | SMPDB, HMDB | PA(18:3w6/18:3w6) | SMPDB, HMDB | PA(36:6) | SMPDB, HMDB | Phosphatidic acid(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | SMPDB, HMDB | Phosphatidic acid(18:3/18:3) | SMPDB, HMDB | Phosphatidic acid(18:3n6/18:3n6) | SMPDB, HMDB | Phosphatidic acid(18:3w6/18:3w6) | SMPDB, HMDB | Phosphatidic acid(36:6) | SMPDB, HMDB | Phosphatidate(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | SMPDB, HMDB | Phosphatidate(18:3/18:3) | SMPDB, HMDB | Phosphatidate(18:3n6/18:3n6) | SMPDB, HMDB | Phosphatidate(18:3w6/18:3w6) | SMPDB, HMDB | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | SMPDB |
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Chemical Formula | C39H65O8P |
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Average Molecular Weight | 692.915 |
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Monoisotopic Molecular Weight | 692.441706051 |
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IUPAC Name | [(2R)-2,3-bis[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphonic acid |
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Traditional Name | (2R)-2,3-bis[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC |
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InChI Identifier | InChI=1S/C39H65O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,37H,3-10,15-16,21-22,27-36H2,1-2H3,(H2,42,43,44)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m1/s1 |
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InChI Key | VYIYBQLXSYEOOI-ZQNVRDKMSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 1,2-diacylglycerol-3-phosphates. These are glycerol-3-phosphates in which the glycerol moiety is bonded to two aliphatic chains 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 | Glycerophosphates |
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Direct Parent | 1,2-diacylglycerol-3-phosphates |
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Alternative Parents | |
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Substituents | - 1,2-diacylglycerol-3-phosphate
- Fatty acid ester
- Monoalkyl phosphate
- Dicarboxylic acid or derivatives
- Fatty acyl
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Carboxylic acid ester
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Organooxygen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Naturally occurring processBiological processBiochemical pathwayMetabolic pathway- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0066858)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) (PathBank: SMP0066860)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0066866)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) (PathBank: SMP0066871)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0066873)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0075611)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0075614)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0075615)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0075618)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) (PathBank: SMP0086287)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0086291)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0090895)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0090896)
- Phosphatidylcholine Biosynthesis PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0063868)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:2(11Z,14Z)) (PathBank: SMP0066863)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0066874)
- Phosphatidylethanolamine Biosynthesis PE(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0071770)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0075620)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) (PathBank: SMP0075625)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0075628)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/24:0) (PathBank: SMP0075629)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:0) (PathBank: SMP0085426)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/20:0) (PathBank: SMP0085432)
- De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/24:1(15Z)) (PathBank: SMP0090903)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0085419)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0085425)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0085417)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0085418)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0082025)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0082026)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0082027)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0082028)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(11Z)) (PathBank: SMP0082031)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(13Z)) (PathBank: SMP0082032)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:0) (PathBank: SMP0082033)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:1(13Z)) (PathBank: SMP0082034)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/20:1(11Z)) (PathBank: SMP0082036)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/20:1(13Z)) (PathBank: SMP0082037)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/22:0) (PathBank: SMP0082038)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/22:1(13Z)) (PathBank: SMP0082039)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z)/20:1(11Z)) (PathBank: SMP0082040)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z)/20:1(13Z)) (PathBank: SMP0082041)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z)/22:0) (PathBank: SMP0082042)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z)/22:1(13Z)) (PathBank: SMP0082043)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(13Z)/20:1(13Z)) (PathBank: SMP0082044)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(13Z)/22:0) (PathBank: SMP0082045)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(13Z)/22:1(13Z)) (PathBank: SMP0082046)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:0/22:0) (PathBank: SMP0082047)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:0/22:1(13Z)) (PathBank: SMP0082048)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:1(13Z)/22:1(13Z)) (PathBank: SMP0082049)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) (PathBank: SMP0085420)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0085421)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0085422)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0085423)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0085424)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) (PathBank: SMP0085427)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0085428)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0085429)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0085430)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0085431)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/20:3(5Z,8Z,11Z)) (PathBank: SMP0085433)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/20:3(8Z,11Z,14Z)) (PathBank: SMP0085434)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0086404)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0086405)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0086406)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) (PathBank: SMP0086407)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0086408)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0086409)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0086410)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0086412)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0086413)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0086414)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0086415)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0086416)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0086417)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0086418)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0086419)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0086420)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0086421)
- Cardiolipin Biosynthesis CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0086422)
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC | 5182.5 | Standard polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC | 4213.7 | Standard non polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC | 4918.8 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)),1TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC | 4934.6 | Semi standard non polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)),1TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC | 4371.0 | Standard non polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)),1TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC | 5157.7 | Standard polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)),2TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC | 4912.6 | Semi standard non polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)),2TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC | 4344.3 | Standard non polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)),2TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC | 4481.4 | Standard polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)),1TBDMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC | 5149.7 | Semi standard non polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)),1TBDMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC | 4492.7 | Standard non polar | 33892256 | PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)),1TBDMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC | 5164.4 | Standard polar | 33892256 |
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Spectra |
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| MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 10V, Positive-QTOF | splash10-02tc-1152937000-ec476779b153085c1c1a | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 20V, Positive-QTOF | splash10-02ta-4296663000-34295e8a38115e8cb001 | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 40V, Positive-QTOF | splash10-014i-1169252000-b0f93e1c3b80af48b642 | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 10V, Negative-QTOF | splash10-056r-4090303000-dac866d376813a7e0871 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 20V, Negative-QTOF | splash10-004i-9050000000-348fe5d2c050b87b55a6 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 40V, Negative-QTOF | splash10-004i-9000000000-27a50455f00a367691f9 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 10V, Positive-QTOF | splash10-014i-0000000900-868c8b02ce32c84169f6 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 20V, Positive-QTOF | splash10-014i-0000009900-c9f5707d3c0fe5b79a5d | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 40V, Positive-QTOF | splash10-014r-0000904600-560be93b459084e893d4 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 10V, Positive-QTOF | splash10-004l-0000009000-7eb4e46bebc7f04adb7e | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 20V, Positive-QTOF | splash10-0007-0000059000-de835d167c908b94622e | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 40V, Positive-QTOF | splash10-00kb-0000693000-f06f796892d77f2e0729 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 10V, Negative-QTOF | splash10-0006-0000009000-6034c7c3936dc038c671 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 20V, Negative-QTOF | splash10-01r6-1160709000-1002d9475e8ae44abdaa | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 40V, Negative-QTOF | splash10-004i-1190301000-f9b11eeae4c13c14ded0 | 2021-09-24 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | Not Available |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB095607 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 74876728 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 52928971 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Moritz A, De Graan PN, Gispen WH, Wirtz KW: Phosphatidic acid is a specific activator of phosphatidylinositol-4-phosphate kinase. J Biol Chem. 1992 Apr 15;267(11):7207-10. [PubMed:1313792 ]
- Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
- Moolenaar WH, Kruijer W, Tilly BC, Verlaan I, Bierman AJ, de Laat SW: Growth factor-like action of phosphatidic acid. Nature. 1986 Sep 11-17;323(6084):171-3. [PubMed:3748188 ]
- Yang CY, Frohman MA: Mitochondria: signaling with phosphatidic acid. Int J Biochem Cell Biol. 2012 Aug;44(8):1346-50. doi: 10.1016/j.biocel.2012.05.006. Epub 2012 May 15. [PubMed:22609101 ]
- Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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