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 02:52:28 UTC |
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Update Date | 2022-11-30 19:25:56 UTC |
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HMDB ID | HMDB0114847 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | PA(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) |
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Description | PA(16:0/22:5(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(16:0/22:5(4Z,7Z,10Z,13Z,16Z)), in particular, consists of one chain of palmitic 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)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C41H71O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,39H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H2,44,45,46)/b13-11-,18-17-,21-20-,26-24-,32-30-/t39-/m1/s1 |
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Synonyms | Value | Source |
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1-palmitoyl-2-osbondoyl-sn-glycero-3-phosphate | SMPDB, HMDB | 1-palmitoyl-2-osbondoyl-sn-phosphatidic acid | SMPDB, HMDB | PA(16:0/22:5) | SMPDB, HMDB | PA(16:0/22:5n6) | SMPDB, HMDB | PA(16:0/22:5w6) | SMPDB, HMDB | PA(38:5) | SMPDB, HMDB | Phosphatidic acid(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | SMPDB, HMDB | Phosphatidic acid(16:0/22:5) | SMPDB, HMDB | Phosphatidic acid(16:0/22:5n6) | SMPDB, HMDB | Phosphatidic acid(16:0/22:5w6) | SMPDB, HMDB | Phosphatidic acid(38:5) | SMPDB, HMDB | Phosphatidate(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | SMPDB, HMDB | Phosphatidate(16:0/22:5) | SMPDB, HMDB | Phosphatidate(16:0/22:5n6) | SMPDB, HMDB | Phosphatidate(16:0/22:5w6) | SMPDB, HMDB | Phosphatidate(38:5) | SMPDB, HMDB | PA(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | SMPDB | [(2R)-2-[(4Z,7Z,10Z,13Z)-Docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy]phosphonate | Generator, HMDB |
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Chemical Formula | C41H71O8P |
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Average Molecular Weight | 722.985 |
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Monoisotopic Molecular Weight | 722.488656244 |
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IUPAC Name | [(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy]phosphonic acid |
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Traditional Name | (2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)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)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC |
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InChI Identifier | InChI=1S/C41H71O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,30,32,39H,3-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H2,44,45,46)/b13-11-,18-17-,21-20-,26-24-,32-30-/t39-/m1/s1 |
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InChI Key | RNBOFQHXNIPSPS-QWJZRIPISA-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 | Not Available |
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Process | Naturally occurring processBiological processBiochemical pathwayMetabolic pathway- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0) (PathBank: SMP0018070)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0) (PathBank: SMP0018071)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0) (PathBank: SMP0018072)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0) (PathBank: SMP0018073)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0) (PathBank: SMP0018074)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)) (PathBank: SMP0018075)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) (PathBank: SMP0018076)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) (PathBank: SMP0018077)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) (PathBank: SMP0018078)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)) (PathBank: SMP0018079)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) (PathBank: SMP0018080)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) (PathBank: SMP0018081)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) (PathBank: SMP0018082)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) (PathBank: SMP0018083)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0018084)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0018085)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) (PathBank: SMP0018086)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) (PathBank: SMP0018087)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0018088)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0018089)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) (PathBank: SMP0018090)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) (PathBank: SMP0018091)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (PathBank: SMP0018092)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0018093)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0018094)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027346)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027347)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027348)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:0) (PathBank: SMP0027349)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:1(9Z)) (PathBank: SMP0027350)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027351)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027352)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/16:0) (PathBank: SMP0027353)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/18:0) (PathBank: SMP0027354)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027355)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027356)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/16:0) (PathBank: SMP0027357)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:1(11Z)) (PathBank: SMP0027358)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:1(9Z)) (PathBank: SMP0027359)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027360)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027361)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/16:0) (PathBank: SMP0027362)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(11Z)) (PathBank: SMP0027363)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:1(9Z)) (PathBank: SMP0027364)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027365)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027366)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/16:0) (PathBank: SMP0027367)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0027368)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027369)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027370)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/16:0) (PathBank: SMP0027371)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0027372)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027373)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027374)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0) (PathBank: SMP0027375)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) (PathBank: SMP0027376)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0) (PathBank: SMP0027377)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) (PathBank: SMP0027378)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) (PathBank: SMP0027379)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) (PathBank: SMP0027380)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0027381)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027382)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027383)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027384)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0) (PathBank: SMP0027385)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) (PathBank: SMP0027386)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0) (PathBank: SMP0027387)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) (PathBank: SMP0027388)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) (PathBank: SMP0027389)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) (PathBank: SMP0027390)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) (PathBank: SMP0027391)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027392)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027393)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027394)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) (PathBank: SMP0027395)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (PathBank: SMP0027396)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027397)
- Cardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (PathBank: SMP0027398)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)) (PathBank: SMP0032827)
- De Novo Triacylglycerol Biosynthesis TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) (PathBank: SMP0032828)
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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 IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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PA(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC | 5162.5 | Standard polar | 33892256 | PA(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC | 4415.5 | Standard non polar | 33892256 | PA(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC | 5129.8 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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PA(16:0/22:5(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)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C | 5129.2 | Semi standard non polar | 33892256 | PA(16:0/22:5(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)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C | 4554.2 | Standard non polar | 33892256 | PA(16:0/22:5(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)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C | 5640.5 | Standard polar | 33892256 | PA(16:0/22:5(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)CCCCCCCCCCCCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 5097.1 | Semi standard non polar | 33892256 | PA(16:0/22:5(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)CCCCCCCCCCCCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4526.4 | Standard non polar | 33892256 | PA(16:0/22:5(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)CCCCCCCCCCCCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4910.7 | Standard polar | 33892256 | PA(16:0/22:5(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)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 5346.0 | Semi standard non polar | 33892256 | PA(16:0/22:5(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)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 4661.1 | Standard non polar | 33892256 | PA(16:0/22:5(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)CCCCCCCCCCCCCCC)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 5619.5 | Standard polar | 33892256 |
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