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 03:13:13 UTC |
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Update Date | 2022-11-30 19:25:59 UTC |
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HMDB ID | HMDB0114968 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) |
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Description | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 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(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)), in particular, consists of one chain of linoleic acid at the C-1 position and one chain of osbond 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)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C43H71O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,32,34,41H,3-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3,(H2,46,47,48)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m1/s1 |
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Synonyms | Value | Source |
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1-Linoleoyl-2-osbondoyl-sn-glycero-3-phosphate | HMDB | 1-Linoleoyl-2-osbondoyl-sn-phosphatidic acid | HMDB | PA(18:2/22:5) | HMDB | PA(18:2N6/22:5N6) | HMDB | PA(18:2W6/22:5W6) | HMDB | PA(40:7) | HMDB | Phosphatidic acid(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | HMDB | Phosphatidic acid(18:2/22:5) | HMDB | Phosphatidic acid(18:2n6/22:5n6) | HMDB | Phosphatidic acid(18:2W6/22:5W6) | HMDB | Phosphatidic acid(40:7) | HMDB | Phosphatidate(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | HMDB | Phosphatidate(18:2/22:5) | HMDB | Phosphatidate(18:2N6/22:5N6) | HMDB | Phosphatidate(18:2W6/22:5W6) | HMDB | Phosphatidate(40:7) | HMDB | [(2R)-2-[(4Z,10Z,13Z,16Z)-Docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphonate | HMDB | 1-linoleoyl-2-osbondoyl-sn-glycero-3-phosphate | SMPDB, HMDB | 1-linoleoyl-2-osbondoyl-sn-phosphatidic acid | SMPDB, HMDB | PA(18:2/22:5) | SMPDB, HMDB | PA(18:2n6/22:5n6) | SMPDB, HMDB | PA(18:2w6/22:5w6) | SMPDB, HMDB | PA(40:7) | SMPDB, HMDB | Phosphatidic acid(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | SMPDB, HMDB | Phosphatidic acid(18:2/22:5) | SMPDB, HMDB | Phosphatidic acid(18:2n6/22:5n6) | SMPDB, HMDB | Phosphatidic acid(18:2w6/22:5w6) | SMPDB, HMDB | Phosphatidic acid(40:7) | SMPDB, HMDB | Phosphatidate(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | SMPDB, HMDB | Phosphatidate(18:2/22:5) | SMPDB, HMDB | Phosphatidate(18:2n6/22:5n6) | SMPDB, HMDB | Phosphatidate(18:2w6/22:5w6) | SMPDB, HMDB | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | SMPDB |
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Chemical Formula | C43H71O8P |
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Average Molecular Weight | 747.007 |
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Monoisotopic Molecular Weight | 746.488656244 |
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IUPAC Name | [(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphonic acid |
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Traditional Name | (2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC |
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InChI Identifier | InChI=1S/C43H71O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,32,34,41H,3-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3,(H2,46,47,48)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m1/s1 |
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InChI Key | VFBAYUDOFOONJQ-HYZCKEEGSA-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 | Not Available |
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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- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) (PathBank: SMP0071902)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0071907)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) (PathBank: SMP0071909)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0) (PathBank: SMP0071910)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) (PathBank: SMP0071911)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) (PathBank: SMP0071912)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0071915)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) (PathBank: SMP0071918)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0071920)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:0) (PathBank: SMP0075599)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0079676)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0079680)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0079689)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0079691)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0079699)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0079702)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0079706)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0090868)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0094951)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0094963)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0071919)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0) (PathBank: SMP0079683)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) (PathBank: SMP0079698)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0094955)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) (PathBank: SMP0094959)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0) (PathBank: SMP0094966)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0094974)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0071892)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) (PathBank: SMP0071894)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) (PathBank: SMP0071903)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0075597)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) (PathBank: SMP0075600)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0079681)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) (PathBank: SMP0079684)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0066844)
- Cardiolipin Biosynthesis CL(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0) (PathBank: SMP0071900)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) (PathBank: SMP0024340)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0024341)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0024342)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) (PathBank: SMP0024343)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) (PathBank: SMP0024344)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0024346)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) (PathBank: SMP0024347)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0024348)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0024349)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)) (PathBank: SMP0033289)
- De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0033290)
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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(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC | 5545.4 | Standard polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC | 4587.8 | Standard non polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC | 5325.0 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)),1TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O[Si](C)(C)C | 5351.0 | Semi standard non polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)),1TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O[Si](C)(C)C | 4712.7 | Standard non polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)),1TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O[Si](C)(C)C | 5306.2 | Standard polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)),2TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 5312.6 | Semi standard non polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)),2TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4676.7 | Standard non polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)),2TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4686.9 | Standard polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)),1TBDMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 5560.1 | Semi standard non polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)),1TBDMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 4829.0 | Standard non polar | 33892256 | PA(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)),1TBDMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 5326.5 | Standard polar | 33892256 |
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