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 02:50:55 UTC |
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Update Date | 2022-11-30 19:25:56 UTC |
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HMDB ID | HMDB0114837 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | PA(16:0/18:3(9Z,12Z,15Z)) |
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Description | PA(16:0/18:3(9Z,12Z,15Z)) 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(16:0/18:3(9Z,12Z,15Z)), in particular, consists of one chain of palmitic acid at the C-1 position and one chain of alpha-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)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C37H67O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35H,3-4,6,8-10,12,14-16,19-34H2,1-2H3,(H2,40,41,42)/b7-5-,13-11-,18-17-/t35-/m1/s1 |
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Synonyms | Value | Source |
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1-palmitoyl-2-alpha-linolenoyl-sn-glycero-3-phosphate | SMPDB, HMDB | 1-palmitoyl-2-alpha-linolenoyl-sn-phosphatidic acid | SMPDB, HMDB | PA(16:0/18:3) | SMPDB, HMDB | PA(16:0/18:3n3) | SMPDB, HMDB | PA(16:0/18:3w3) | SMPDB, HMDB | PA(34:3) | SMPDB, HMDB | Phosphatidic acid(16:0/18:3(9Z,12Z,15Z)) | SMPDB, HMDB | Phosphatidic acid(16:0/18:3) | SMPDB, HMDB | Phosphatidic acid(16:0/18:3n3) | SMPDB, HMDB | Phosphatidic acid(16:0/18:3w3) | SMPDB, HMDB | Phosphatidic acid(34:3) | SMPDB, HMDB | Phosphatidate(16:0/18:3(9Z,12Z,15Z)) | SMPDB, HMDB | Phosphatidate(16:0/18:3) | SMPDB, HMDB | Phosphatidate(16:0/18:3n3) | SMPDB, HMDB | Phosphatidate(16:0/18:3w3) | SMPDB, HMDB | Phosphatidate(34:3) | SMPDB, HMDB | PA(16:0/18:3(9Z,12Z,15Z)) | SMPDB |
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Chemical Formula | C37H67O8P |
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Average Molecular Weight | 670.909 |
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Monoisotopic Molecular Weight | 670.457356115 |
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IUPAC Name | [(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphonic acid |
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Traditional Name | (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC |
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InChI Identifier | InChI=1S/C37H67O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35H,3-4,6,8-10,12,14-16,19-34H2,1-2H3,(H2,40,41,42)/b7-5-,13-11-,18-17-/t35-/m1/s1 |
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InChI Key | IBNMUXZRFLNINV-RGDIWOFYSA-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(16:0/18:3(9Z,12Z,15Z)/16:0) (PathBank: SMP0018095)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/18:0) (PathBank: SMP0018096)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/20:0) (PathBank: SMP0018097)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/22:0) (PathBank: SMP0018098)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/24:0) (PathBank: SMP0018099)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/14:1(9Z)) (PathBank: SMP0018100)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/16:1(9Z)) (PathBank: SMP0018101)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/18:1(11Z)) (PathBank: SMP0018102)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/18:1(9Z)) (PathBank: SMP0018103)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/20:1(11Z)) (PathBank: SMP0018104)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) (PathBank: SMP0018105)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/22:1(13Z)) (PathBank: SMP0018106)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/24:1(15Z)) (PathBank: SMP0018107)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) (PathBank: SMP0018108)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0018109)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0018110)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) (PathBank: SMP0018111)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) (PathBank: SMP0018112)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0018113)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0018114)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (PathBank: SMP0018115)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0018116)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0018117)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0018118)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0018119)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z)) (PathBank: SMP0032749)
- De Novo Triacylglycerol Biosynthesis TG(16:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0032750)
- Phosphatidylcholine Biosynthesis PC(16:0/18:3(9Z,12Z,15Z)) (PathBank: SMP0063824)
- Phosphatidylethanolamine Biosynthesis PE(16:0/18:3(9Z,12Z,15Z)) (PathBank: SMP0071726)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0081175)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:0) (PathBank: SMP0081176)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:1(11Z)) (PathBank: SMP0081177)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:1(13Z)) (PathBank: SMP0081178)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:0) (PathBank: SMP0081179)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:1(13Z)) (PathBank: SMP0081180)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/20:0) (PathBank: SMP0081181)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/20:1(11Z)) (PathBank: SMP0081182)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/20:1(13Z)) (PathBank: SMP0081183)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/22:0) (PathBank: SMP0081184)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/22:1(13Z)) (PathBank: SMP0081185)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:1(11Z)/20:1(11Z)) (PathBank: SMP0081186)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:1(11Z)/20:1(13Z)) (PathBank: SMP0081187)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:1(11Z)/22:0) (PathBank: SMP0081188)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:1(11Z)/22:1(13Z)) (PathBank: SMP0081189)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:1(13Z)/20:1(13Z)) (PathBank: SMP0081190)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:1(13Z)/22:0) (PathBank: SMP0081191)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:1(13Z)/22:1(13Z)) (PathBank: SMP0081192)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/22:0/22:0) (PathBank: SMP0081193)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/22:0/22:1(13Z)) (PathBank: SMP0081194)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/22:1(13Z)/22:1(13Z)) (PathBank: SMP0081195)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) (PathBank: SMP0083836)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0083837)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0083838)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0083839)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0083840)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/20:3(5Z,8Z,11Z)) (PathBank: SMP0083842)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/20:3(8Z,11Z,14Z)) (PathBank: SMP0083843)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0083844)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0083845)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0083846)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) (PathBank: SMP0083847)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0083848)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0083849)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0083850)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0083851)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0083852)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0083853)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0083854)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0083855)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0083856)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0083857)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0083858)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0083859)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0083860)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0083861)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0098609)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0098610)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:0) (PathBank: SMP0098615)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) (PathBank: SMP0098616)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/22:0) (PathBank: SMP0098618)
- Cardiolipin Biosynthesis CL(16:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z)) (PathBank: SMP0098619)
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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 | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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PA(16:0/18:3(9Z,12Z,15Z)),1TMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C | 4733.9 | Semi standard non polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),1TMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C | 4231.6 | Standard non polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),1TMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C | 5562.2 | Standard polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),2TMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4706.6 | Semi standard non polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),2TMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4205.4 | Standard non polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),2TMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4862.8 | Standard polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),1TBDMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 4957.6 | Semi standard non polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),1TBDMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 4333.4 | Standard non polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),1TBDMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 5546.1 | Standard polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),2TBDMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 5158.5 | Semi standard non polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),2TBDMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4377.6 | Standard non polar | 33892256 | PA(16:0/18:3(9Z,12Z,15Z)),2TBDMS,isomer #1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4916.3 | Standard polar | 33892256 |
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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(16:0/18:3(9Z,12Z,15Z)) 10V, Positive-QTOF | splash10-022i-1192213000-880b79520cf333c64dc3 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 20V, Positive-QTOF | splash10-01p2-1292111000-eb671a3eb57b21404f8d | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 40V, Positive-QTOF | splash10-03dj-1392010000-510269f698bebcd264e1 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 10V, Negative-QTOF | splash10-0a70-3091102000-539c74f4659c6c4a005b | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 20V, Negative-QTOF | splash10-004i-9060000000-4f259776fa2c7b37e4e8 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 40V, Negative-QTOF | splash10-004i-9000000000-58d8bbba306b03d9fe21 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 10V, Negative-QTOF | splash10-014i-0000009000-8465477f36ce6d978aa8 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 20V, Negative-QTOF | splash10-07xx-1196606000-2fb7b57502ea5ed83a69 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 40V, Negative-QTOF | splash10-0a6r-0090200000-f94932aa09d9ffb76057 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 10V, Positive-QTOF | splash10-0uk9-0000009000-4b00c8059dd5f287deb6 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 20V, Positive-QTOF | splash10-00di-0000059000-000f7a098a0436ba96d3 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 40V, Positive-QTOF | splash10-00xu-0006693000-c74d65f2727b49984707 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 10V, Positive-QTOF | splash10-0006-0000009000-680ea39749ce57da07e7 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 20V, Positive-QTOF | splash10-0008-0000099000-24d12db87a2f5ea02832 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(16:0/18:3(9Z,12Z,15Z)) 40V, Positive-QTOF | splash10-05np-0000923000-5244466f683cc623cfec | 2021-09-24 | Wishart Lab | View Spectrum |
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