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 06:02:47 UTC |
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Update Date | 2022-11-30 19:26:21 UTC |
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HMDB ID | HMDB0115805 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | PA(i-13:0/i-18:0) |
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Description | PA(i-13:0/i-18:0) 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(i-13:0/i-18:0), in particular, consists of one chain of isotridecanoic acid at the C-1 position and one chain of isooctadecanoic 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)CCCCCCCCCC(C)C)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC(C)C InChI=1S/C34H67O8P/c1-30(2)24-20-16-12-9-7-5-6-8-10-14-19-23-27-34(36)42-32(29-41-43(37,38)39)28-40-33(35)26-22-18-15-11-13-17-21-25-31(3)4/h30-32H,5-29H2,1-4H3,(H2,37,38,39)/t32-/m1/s1 |
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Synonyms | Value | Source |
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1-isotridecanoyl-2-isooctadecanoyl-sn-glycero-3-phosphate | SMPDB, HMDB | 1-isotridecanoyl-2-isooctadecanoyl-sn-phosphatidic acid | SMPDB, HMDB | PA(i-13:0/i-18:0) | SMPDB | PA(31:0) | SMPDB, HMDB | Phosphatidic acid(i-13:0/i-18:0) | SMPDB, HMDB | Phosphatidic acid(31:0) | SMPDB, HMDB | Phosphatidate(i-13:0/i-18:0) | SMPDB, HMDB | Phosphatidate(31:0) | SMPDB, HMDB | [(2R)-3-[(11-Methyldodecanoyl)oxy]-2-[(16-methylheptadecanoyl)oxy]propoxy]phosphonate | Generator, HMDB |
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Chemical Formula | C34H67O8P |
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Average Molecular Weight | 634.876 |
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Monoisotopic Molecular Weight | 634.457356115 |
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IUPAC Name | [(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(16-methylheptadecanoyl)oxy]propoxy]phosphonic acid |
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Traditional Name | (2R)-3-[(11-methyldodecanoyl)oxy]-2-[(16-methylheptadecanoyl)oxy]propoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COC(=O)CCCCCCCCCC(C)C)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC(C)C |
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InChI Identifier | InChI=1S/C34H67O8P/c1-30(2)24-20-16-12-9-7-5-6-8-10-14-19-23-27-34(36)42-32(29-41-43(37,38)39)28-40-33(35)26-22-18-15-11-13-17-21-25-31(3)4/h30-32H,5-29H2,1-4H3,(H2,37,38,39)/t32-/m1/s1 |
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InChI Key | RUZBHLUENTXTDQ-JGCGQSQUSA-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 pathwayDisease pathway- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/18:2(9Z,11Z)) (PathBank: SMP0058837)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/a-13:0) (PathBank: SMP0058838)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/a-15:0) (PathBank: SMP0058839)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/a-17:0) (PathBank: SMP0058840)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/a-21:0) (PathBank: SMP0058841)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/a-25:0) (PathBank: SMP0058842)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-12:0) (PathBank: SMP0058843)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-13:0) (PathBank: SMP0058844)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-14:0) (PathBank: SMP0058845)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-15:0) (PathBank: SMP0058846)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-16:0) (PathBank: SMP0058847)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-17:0) (PathBank: SMP0058848)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-18:0) (PathBank: SMP0058849)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-19:0) (PathBank: SMP0058850)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-20:0) (PathBank: SMP0058851)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-21:0) (PathBank: SMP0058852)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-22:0) (PathBank: SMP0058853)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/18:2(9Z,11Z)/i-24:0) (PathBank: SMP0058854)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/18:2(9Z,11Z)) (PathBank: SMP0058855)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/a-13:0) (PathBank: SMP0058856)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/a-15:0) (PathBank: SMP0058857)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/a-17:0) (PathBank: SMP0058858)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/a-21:0) (PathBank: SMP0058859)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/a-25:0) (PathBank: SMP0058860)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-12:0) (PathBank: SMP0058861)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-13:0) (PathBank: SMP0058862)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-14:0) (PathBank: SMP0058863)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-15:0) (PathBank: SMP0058864)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-16:0) (PathBank: SMP0058865)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-17:0) (PathBank: SMP0058866)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-18:0) (PathBank: SMP0058867)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-19:0) (PathBank: SMP0058868)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-20:0) (PathBank: SMP0058869)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-21:0) (PathBank: SMP0058870)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-22:0) (PathBank: SMP0058871)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-13:0/i-24:0) (PathBank: SMP0058872)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/18:2(9Z,11Z)) (PathBank: SMP0058873)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/a-13:0) (PathBank: SMP0058874)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/a-15:0) (PathBank: SMP0058875)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/a-17:0) (PathBank: SMP0058876)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/a-21:0) (PathBank: SMP0058877)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/a-25:0) (PathBank: SMP0058878)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-12:0) (PathBank: SMP0058879)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-13:0) (PathBank: SMP0058880)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-14:0) (PathBank: SMP0058881)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-15:0) (PathBank: SMP0058882)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-16:0) (PathBank: SMP0058883)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-17:0) (PathBank: SMP0058884)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-18:0) (PathBank: SMP0058885)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-19:0) (PathBank: SMP0058886)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-20:0) (PathBank: SMP0058887)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-21:0) (PathBank: SMP0058888)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-22:0) (PathBank: SMP0058889)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-15:0/i-24:0) (PathBank: SMP0058890)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/18:2(9Z,11Z)) (PathBank: SMP0058892)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/a-13:0) (PathBank: SMP0058894)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/a-15:0) (PathBank: SMP0058895)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/a-17:0) (PathBank: SMP0058896)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/a-21:0) (PathBank: SMP0058898)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/a-25:0) (PathBank: SMP0058899)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-12:0) (PathBank: SMP0058900)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-13:0) (PathBank: SMP0058901)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-14:0) (PathBank: SMP0058902)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-15:0) (PathBank: SMP0058904)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-16:0) (PathBank: SMP0058905)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-17:0) (PathBank: SMP0058906)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-18:0) (PathBank: SMP0058907)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-19:0) (PathBank: SMP0058909)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-20:0) (PathBank: SMP0058910)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-21:0) (PathBank: SMP0058911)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-22:0) (PathBank: SMP0058912)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-17:0/i-24:0) (PathBank: SMP0058913)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/18:2(9Z,11Z)) (PathBank: SMP0058914)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/a-13:0) (PathBank: SMP0058915)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/a-15:0) (PathBank: SMP0058917)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/a-17:0) (PathBank: SMP0058918)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/a-21:0) (PathBank: SMP0058919)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/a-25:0) (PathBank: SMP0058920)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-12:0) (PathBank: SMP0058921)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-13:0) (PathBank: SMP0058922)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-14:0) (PathBank: SMP0058924)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-15:0) (PathBank: SMP0058925)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-16:0) (PathBank: SMP0058926)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-17:0) (PathBank: SMP0058927)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-18:0) (PathBank: SMP0058928)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-19:0) (PathBank: SMP0058929)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-20:0) (PathBank: SMP0058930)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-21:0) (PathBank: SMP0058932)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-22:0) (PathBank: SMP0058933)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-21:0/i-24:0) (PathBank: SMP0058934)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/18:2(9Z,11Z)) (PathBank: SMP0058935)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/a-13:0) (PathBank: SMP0058937)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/a-15:0) (PathBank: SMP0058938)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/a-17:0) (PathBank: SMP0058939)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/a-21:0) (PathBank: SMP0058940)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/a-25:0) (PathBank: SMP0058941)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-12:0) (PathBank: SMP0058943)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-13:0) (PathBank: SMP0058944)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-14:0) (PathBank: SMP0058945)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-15:0) (PathBank: SMP0058946)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-16:0) (PathBank: SMP0058947)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-17:0) (PathBank: SMP0058948)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-18:0) (PathBank: SMP0058949)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-19:0) (PathBank: SMP0058950)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-20:0) (PathBank: SMP0058951)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-21:0) (PathBank: SMP0058952)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-22:0) (PathBank: SMP0058953)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/a-25:0/i-24:0) (PathBank: SMP0058954)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/18:2(9Z,11Z)) (PathBank: SMP0058955)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/a-13:0) (PathBank: SMP0058957)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/a-15:0) (PathBank: SMP0058958)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/a-17:0) (PathBank: SMP0058959)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/a-21:0) (PathBank: SMP0058960)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/a-25:0) (PathBank: SMP0058961)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-12:0) (PathBank: SMP0058962)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-13:0) (PathBank: SMP0058963)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-14:0) (PathBank: SMP0058965)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-15:0) (PathBank: SMP0058966)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-16:0) (PathBank: SMP0058967)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-17:0) (PathBank: SMP0058968)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-18:0) (PathBank: SMP0058969)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-19:0) (PathBank: SMP0058970)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-20:0) (PathBank: SMP0058971)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-21:0) (PathBank: SMP0058972)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-22:0) (PathBank: SMP0058973)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-12:0/i-24:0) (PathBank: SMP0058974)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/18:2(9Z,11Z)) (PathBank: SMP0058975)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/a-13:0) (PathBank: SMP0058976)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/a-15:0) (PathBank: SMP0058977)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/a-17:0) (PathBank: SMP0058978)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/a-21:0) (PathBank: SMP0058979)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/a-25:0) (PathBank: SMP0058980)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-12:0) (PathBank: SMP0058981)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-13:0) (PathBank: SMP0058982)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-14:0) (PathBank: SMP0058983)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-15:0) (PathBank: SMP0058984)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-16:0) (PathBank: SMP0058985)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-17:0) (PathBank: SMP0058986)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-18:0) (PathBank: SMP0058987)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-19:0) (PathBank: SMP0058988)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-20:0) (PathBank: SMP0058989)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-21:0) (PathBank: SMP0058990)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-22:0) (PathBank: SMP0058991)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-24:0) (PathBank: SMP0058992)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/18:2(9Z,11Z)) (PathBank: SMP0058993)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/a-13:0) (PathBank: SMP0058994)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/a-15:0) (PathBank: SMP0058995)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/a-17:0) (PathBank: SMP0058996)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/a-21:0) (PathBank: SMP0058997)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/a-25:0) (PathBank: SMP0058998)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-12:0) (PathBank: SMP0058999)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-13:0) (PathBank: SMP0059000)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-14:0) (PathBank: SMP0059001)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-15:0) (PathBank: SMP0059002)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-16:0) (PathBank: SMP0059003)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-17:0) (PathBank: SMP0059004)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-18:0) (PathBank: SMP0059005)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-19:0) (PathBank: SMP0059006)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-20:0) (PathBank: SMP0059007)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-21:0) (PathBank: SMP0059008)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-22:0) (PathBank: SMP0059009)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-24:0) (PathBank: SMP0059010)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/18:2(9Z,11Z)) (PathBank: SMP0059011)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/a-13:0) (PathBank: SMP0059012)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/a-15:0) (PathBank: SMP0059013)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/a-17:0) (PathBank: SMP0059014)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/a-21:0) (PathBank: SMP0059015)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/a-25:0) (PathBank: SMP0059016)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-12:0) (PathBank: SMP0059017)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-13:0) (PathBank: SMP0059018)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-14:0) (PathBank: SMP0059019)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-15:0) (PathBank: SMP0059020)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-16:0) (PathBank: SMP0059021)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-17:0) (PathBank: SMP0059022)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-18:0) (PathBank: SMP0059023)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-19:0) (PathBank: SMP0059024)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-20:0) (PathBank: SMP0059025)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-21:0) (PathBank: SMP0059026)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-22:0) (PathBank: SMP0059027)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-15:0/i-24:0) (PathBank: SMP0059028)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/18:2(9Z,11Z)) (PathBank: SMP0059029)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/a-13:0) (PathBank: SMP0059030)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/a-15:0) (PathBank: SMP0059031)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/a-17:0) (PathBank: SMP0059032)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/a-21:0) (PathBank: SMP0059033)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/a-25:0) (PathBank: SMP0059034)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-12:0) (PathBank: SMP0059035)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-13:0) (PathBank: SMP0059036)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-14:0) (PathBank: SMP0059037)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-15:0) (PathBank: SMP0059038)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-16:0) (PathBank: SMP0059039)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-17:0) (PathBank: SMP0059040)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-18:0) (PathBank: SMP0059041)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-19:0) (PathBank: SMP0059042)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-20:0) (PathBank: SMP0059043)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-21:0) (PathBank: SMP0059045)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-22:0) (PathBank: SMP0059046)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-16:0/i-24:0) (PathBank: SMP0059047)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/18:2(9Z,11Z)) (PathBank: SMP0059048)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/a-13:0) (PathBank: SMP0059049)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/a-15:0) (PathBank: SMP0059050)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/a-17:0) (PathBank: SMP0059051)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/a-21:0) (PathBank: SMP0059052)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/a-25:0) (PathBank: SMP0059053)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-12:0) (PathBank: SMP0059055)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-13:0) (PathBank: SMP0059056)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-14:0) (PathBank: SMP0059057)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-15:0) (PathBank: SMP0059059)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-16:0) (PathBank: SMP0059060)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-17:0) (PathBank: SMP0059061)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-18:0) (PathBank: SMP0059062)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-19:0) (PathBank: SMP0059063)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-20:0) (PathBank: SMP0059064)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-21:0) (PathBank: SMP0059065)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-22:0) (PathBank: SMP0059066)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-17:0/i-24:0) (PathBank: SMP0059067)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/18:2(9Z,11Z)) (PathBank: SMP0059068)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/a-13:0) (PathBank: SMP0059069)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/a-15:0) (PathBank: SMP0059070)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/a-17:0) (PathBank: SMP0059071)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/a-21:0) (PathBank: SMP0059072)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/a-25:0) (PathBank: SMP0059073)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-12:0) (PathBank: SMP0059074)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-13:0) (PathBank: SMP0059075)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-14:0) (PathBank: SMP0059076)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-15:0) (PathBank: SMP0059077)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-16:0) (PathBank: SMP0059078)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-17:0) (PathBank: SMP0059079)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-18:0) (PathBank: SMP0059080)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-19:0) (PathBank: SMP0059081)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-20:0) (PathBank: SMP0059082)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-21:0) (PathBank: SMP0059083)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-22:0) (PathBank: SMP0059084)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-18:0/i-24:0) (PathBank: SMP0059085)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/18:2(9Z,11Z)) (PathBank: SMP0059086)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/a-13:0) (PathBank: SMP0059087)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/a-15:0) (PathBank: SMP0059088)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/a-17:0) (PathBank: SMP0059089)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/a-21:0) (PathBank: SMP0059090)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/a-25:0) (PathBank: SMP0059091)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-12:0) (PathBank: SMP0059092)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-13:0) (PathBank: SMP0059093)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-14:0) (PathBank: SMP0059094)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-15:0) (PathBank: SMP0059095)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-16:0) (PathBank: SMP0059096)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-17:0) (PathBank: SMP0059097)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-18:0) (PathBank: SMP0059098)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-19:0) (PathBank: SMP0059099)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-20:0) (PathBank: SMP0059100)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-21:0) (PathBank: SMP0059101)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-22:0) (PathBank: SMP0059102)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-19:0/i-24:0) (PathBank: SMP0059103)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/18:2(9Z,11Z)) (PathBank: SMP0059104)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/a-13:0) (PathBank: SMP0059105)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/a-15:0) (PathBank: SMP0059106)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/a-17:0) (PathBank: SMP0059107)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/a-21:0) (PathBank: SMP0059108)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/a-25:0) (PathBank: SMP0059109)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-12:0) (PathBank: SMP0059111)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-13:0) (PathBank: SMP0059112)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-14:0) (PathBank: SMP0059113)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-15:0) (PathBank: SMP0059115)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-16:0) (PathBank: SMP0059116)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-17:0) (PathBank: SMP0059117)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-18:0) (PathBank: SMP0059118)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-19:0) (PathBank: SMP0059119)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-20:0) (PathBank: SMP0059120)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-21:0) (PathBank: SMP0059121)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-22:0) (PathBank: SMP0059122)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-20:0/i-24:0) (PathBank: SMP0059123)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/18:2(9Z,11Z)) (PathBank: SMP0059124)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/a-13:0) (PathBank: SMP0059125)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/a-15:0) (PathBank: SMP0059126)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/a-17:0) (PathBank: SMP0059127)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/a-21:0) (PathBank: SMP0059128)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/a-25:0) (PathBank: SMP0059129)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-12:0) (PathBank: SMP0059130)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-13:0) (PathBank: SMP0059131)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-14:0) (PathBank: SMP0059132)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-15:0) (PathBank: SMP0059133)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-16:0) (PathBank: SMP0059134)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-17:0) (PathBank: SMP0059135)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-18:0) (PathBank: SMP0059136)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-19:0) (PathBank: SMP0059137)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-20:0) (PathBank: SMP0059138)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-21:0) (PathBank: SMP0059139)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-22:0) (PathBank: SMP0059140)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-21:0/i-24:0) (PathBank: SMP0059141)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/18:2(9Z,11Z)) (PathBank: SMP0059142)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/a-13:0) (PathBank: SMP0059143)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/a-15:0) (PathBank: SMP0059144)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/a-17:0) (PathBank: SMP0059145)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/a-21:0) (PathBank: SMP0059146)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/a-25:0) (PathBank: SMP0059147)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-12:0) (PathBank: SMP0059148)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-13:0) (PathBank: SMP0059149)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-14:0) (PathBank: SMP0059150)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-15:0) (PathBank: SMP0059151)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-16:0) (PathBank: SMP0059152)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-17:0) (PathBank: SMP0059153)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-18:0) (PathBank: SMP0059154)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-19:0) (PathBank: SMP0059155)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-20:0) (PathBank: SMP0059156)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-21:0) (PathBank: SMP0059157)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-22:0) (PathBank: SMP0059158)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-22:0/i-24:0) (PathBank: SMP0059159)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/18:2(9Z,11Z)) (PathBank: SMP0059160)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/a-13:0) (PathBank: SMP0059161)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/a-15:0) (PathBank: SMP0059162)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/a-17:0) (PathBank: SMP0059163)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/a-21:0) (PathBank: SMP0059164)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/a-25:0) (PathBank: SMP0059165)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-12:0) (PathBank: SMP0059166)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-13:0) (PathBank: SMP0059167)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-14:0) (PathBank: SMP0059168)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-15:0) (PathBank: SMP0059169)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-16:0) (PathBank: SMP0059170)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-17:0) (PathBank: SMP0059171)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-18:0) (PathBank: SMP0059172)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-19:0) (PathBank: SMP0059173)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-20:0) (PathBank: SMP0059174)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-21:0) (PathBank: SMP0059175)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-22:0) (PathBank: SMP0059176)
- Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-24:0/i-24:0) (PathBank: SMP0059177)
|
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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 IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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PA(i-13:0/i-18:0),1TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C | 4334.8 | Semi standard non polar | 33892256 | PA(i-13:0/i-18:0),1TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C | 3815.9 | Standard non polar | 33892256 | PA(i-13:0/i-18:0),1TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C | 5243.5 | Standard polar | 33892256 | PA(i-13:0/i-18:0),2TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4336.8 | Semi standard non polar | 33892256 | PA(i-13:0/i-18:0),2TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 3851.3 | Standard non polar | 33892256 | PA(i-13:0/i-18:0),2TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4576.8 | Standard polar | 33892256 | PA(i-13:0/i-18:0),1TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 4548.0 | Semi standard non polar | 33892256 | PA(i-13:0/i-18:0),1TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 3952.0 | Standard non polar | 33892256 | PA(i-13:0/i-18:0),1TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 5233.8 | Standard polar | 33892256 | PA(i-13:0/i-18:0),2TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4786.3 | Semi standard non polar | 33892256 | PA(i-13:0/i-18:0),2TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4066.6 | Standard non polar | 33892256 | PA(i-13:0/i-18:0),2TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4671.0 | 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(i-13:0/i-18:0) 10V, Positive-QTOF | splash10-00ks-1695256000-ffeba5a4bf9b44dbea5d | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 20V, Positive-QTOF | splash10-00kb-4793130000-fd34eb29a6916bc69f6c | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 40V, Positive-QTOF | splash10-05xr-2590040000-ca686ee8c04757ddae82 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 10V, Negative-QTOF | splash10-01pk-5493103000-68b5375dedb68ed82695 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 20V, Negative-QTOF | splash10-004j-9230000000-ad2c66fc94719571aa43 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 40V, Negative-QTOF | splash10-004i-9000000000-ec2c46b3a5a274be0842 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 10V, Positive-QTOF | splash10-0a4i-0000009000-60bd2cb67be440cfd789 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 20V, Positive-QTOF | splash10-0a4i-0000099000-f6376d157ad6b453ba04 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 40V, Positive-QTOF | splash10-0abc-0009946000-5a76ec2fa0e064fd7c49 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 10V, Positive-QTOF | splash10-014r-0000009000-7297669e99ef47b3d4d1 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 20V, Positive-QTOF | splash10-000i-0000059000-62f53c9f6eaa82da04ce | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 40V, Positive-QTOF | splash10-0fe0-0006693000-3705835c43e896896042 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 10V, Negative-QTOF | splash10-001i-0000009000-7bf6317e2e610d98297f | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 20V, Negative-QTOF | splash10-00ls-1197506000-2efc67582668d6475cb4 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/i-18:0) 40V, Negative-QTOF | splash10-03e9-0091100000-1b77610e24ea446367f8 | 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 | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | Not Available |
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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 | 131822461 |
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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 | Not Available |
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