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 05:55:25 UTC |
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Update Date | 2022-11-30 19:26:21 UTC |
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HMDB ID | HMDB0115787 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | PA(i-12:0/i-18:0) |
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Description | PA(i-12:0/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-12:0/i-18:0), in particular, consists of one chain of isododecanoic 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)CCCCCCCCC(C)C)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC(C)C InChI=1S/C33H65O8P/c1-29(2)23-19-15-11-9-7-5-6-8-10-12-18-22-26-33(35)41-31(28-40-42(36,37)38)27-39-32(34)25-21-17-14-13-16-20-24-30(3)4/h29-31H,5-28H2,1-4H3,(H2,36,37,38)/t31-/m1/s1 |
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Synonyms | Value | Source |
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1-isododecanoyl-2-isooctadecanoyl-sn-glycero-3-phosphate | SMPDB, HMDB | 1-isododecanoyl-2-isooctadecanoyl-sn-phosphatidic acid | SMPDB, HMDB | PA(i-12:0/i-18:0) | SMPDB | PA(30:0) | SMPDB, HMDB | Phosphatidic acid(i-12:0/i-18:0) | SMPDB, HMDB | Phosphatidic acid(30:0) | SMPDB, HMDB | Phosphatidate(i-12:0/i-18:0) | SMPDB, HMDB | Phosphatidate(30:0) | SMPDB, HMDB | [(2R)-2-[(16-Methylheptadecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphonate | Generator, HMDB |
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Chemical Formula | C33H65O8P |
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Average Molecular Weight | 620.849 |
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Monoisotopic Molecular Weight | 620.441706051 |
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IUPAC Name | [(2R)-2-[(16-methylheptadecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid |
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Traditional Name | (2R)-2-[(16-methylheptadecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COC(=O)CCCCCCCCC(C)C)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC(C)C |
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InChI Identifier | InChI=1S/C33H65O8P/c1-29(2)23-19-15-11-9-7-5-6-8-10-12-18-22-26-33(35)41-31(28-40-42(36,37)38)27-39-32(34)25-21-17-14-13-16-20-24-30(3)4/h29-31H,5-28H2,1-4H3,(H2,36,37,38)/t31-/m1/s1 |
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InChI Key | LZMHXAWQYZEOOW-WJOKGBTCSA-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-12:0/i-18:0/18:2(9Z,11Z)/18:2(9Z,11Z)) (PathBank: SMP0053001)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/a-13:0) (PathBank: SMP0053002)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/a-15:0) (PathBank: SMP0053003)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/a-17:0) (PathBank: SMP0053004)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/a-21:0) (PathBank: SMP0053005)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/a-25:0) (PathBank: SMP0053006)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-12:0) (PathBank: SMP0053007)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-13:0) (PathBank: SMP0053008)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-14:0) (PathBank: SMP0053009)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-15:0) (PathBank: SMP0053010)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-16:0) (PathBank: SMP0053011)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-17:0) (PathBank: SMP0053012)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-18:0) (PathBank: SMP0053013)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-19:0) (PathBank: SMP0053014)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-20:0) (PathBank: SMP0053015)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-21:0) (PathBank: SMP0053016)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-22:0) (PathBank: SMP0053017)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/18:2(9Z,11Z)/i-24:0) (PathBank: SMP0053018)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/18:2(9Z,11Z)) (PathBank: SMP0053019)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/a-13:0) (PathBank: SMP0053020)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/a-15:0) (PathBank: SMP0053021)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/a-17:0) (PathBank: SMP0053022)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/a-21:0) (PathBank: SMP0053023)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/a-25:0) (PathBank: SMP0053024)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-12:0) (PathBank: SMP0053025)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-13:0) (PathBank: SMP0053026)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-14:0) (PathBank: SMP0053027)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-15:0) (PathBank: SMP0053028)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-16:0) (PathBank: SMP0053029)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-17:0) (PathBank: SMP0053030)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-18:0) (PathBank: SMP0053031)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-19:0) (PathBank: SMP0053032)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-20:0) (PathBank: SMP0053033)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-21:0) (PathBank: SMP0053034)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-22:0) (PathBank: SMP0053035)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-13:0/i-24:0) (PathBank: SMP0053036)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/18:2(9Z,11Z)) (PathBank: SMP0053037)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/a-13:0) (PathBank: SMP0053038)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/a-15:0) (PathBank: SMP0053039)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/a-17:0) (PathBank: SMP0053040)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/a-21:0) (PathBank: SMP0053041)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/a-25:0) (PathBank: SMP0053042)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-12:0) (PathBank: SMP0053043)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-13:0) (PathBank: SMP0053044)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-14:0) (PathBank: SMP0053045)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-15:0) (PathBank: SMP0053046)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-16:0) (PathBank: SMP0053047)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-17:0) (PathBank: SMP0053048)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-18:0) (PathBank: SMP0053049)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-19:0) (PathBank: SMP0053050)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-20:0) (PathBank: SMP0053051)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-21:0) (PathBank: SMP0053052)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-22:0) (PathBank: SMP0053053)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-15:0/i-24:0) (PathBank: SMP0053054)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/18:2(9Z,11Z)) (PathBank: SMP0053055)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/a-13:0) (PathBank: SMP0053056)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/a-15:0) (PathBank: SMP0053057)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/a-17:0) (PathBank: SMP0053058)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/a-21:0) (PathBank: SMP0053059)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/a-25:0) (PathBank: SMP0053060)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-12:0) (PathBank: SMP0053061)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-13:0) (PathBank: SMP0053062)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-14:0) (PathBank: SMP0053063)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-15:0) (PathBank: SMP0053064)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-16:0) (PathBank: SMP0053065)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-17:0) (PathBank: SMP0053066)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-18:0) (PathBank: SMP0053067)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-19:0) (PathBank: SMP0053068)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-20:0) (PathBank: SMP0053069)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-21:0) (PathBank: SMP0053070)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-22:0) (PathBank: SMP0053071)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-17:0/i-24:0) (PathBank: SMP0053072)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/18:2(9Z,11Z)) (PathBank: SMP0053073)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/a-13:0) (PathBank: SMP0053074)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/a-15:0) (PathBank: SMP0053075)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/a-17:0) (PathBank: SMP0053076)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/a-21:0) (PathBank: SMP0053077)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/a-25:0) (PathBank: SMP0053078)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-12:0) (PathBank: SMP0053079)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-13:0) (PathBank: SMP0053080)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-14:0) (PathBank: SMP0053081)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-15:0) (PathBank: SMP0053082)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-16:0) (PathBank: SMP0053083)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-17:0) (PathBank: SMP0053084)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-18:0) (PathBank: SMP0053085)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-19:0) (PathBank: SMP0053086)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-20:0) (PathBank: SMP0053087)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-21:0) (PathBank: SMP0053088)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-22:0) (PathBank: SMP0053089)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-21:0/i-24:0) (PathBank: SMP0053090)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/18:2(9Z,11Z)) (PathBank: SMP0053091)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/a-13:0) (PathBank: SMP0053092)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/a-15:0) (PathBank: SMP0053093)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/a-17:0) (PathBank: SMP0053094)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/a-21:0) (PathBank: SMP0053095)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/a-25:0) (PathBank: SMP0053096)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-12:0) (PathBank: SMP0053097)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-13:0) (PathBank: SMP0053098)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-14:0) (PathBank: SMP0053099)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-15:0) (PathBank: SMP0053100)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-16:0) (PathBank: SMP0053101)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-17:0) (PathBank: SMP0053102)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-18:0) (PathBank: SMP0053103)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-19:0) (PathBank: SMP0053104)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-20:0) (PathBank: SMP0053105)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-21:0) (PathBank: SMP0053106)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-22:0) (PathBank: SMP0053107)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/a-25:0/i-24:0) (PathBank: SMP0053108)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/18:2(9Z,11Z)) (PathBank: SMP0053109)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/a-13:0) (PathBank: SMP0053110)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/a-15:0) (PathBank: SMP0053111)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/a-17:0) (PathBank: SMP0053112)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/a-21:0) (PathBank: SMP0053113)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/a-25:0) (PathBank: SMP0053114)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-12:0) (PathBank: SMP0053115)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-13:0) (PathBank: SMP0053116)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-14:0) (PathBank: SMP0053117)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-15:0) (PathBank: SMP0053118)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-16:0) (PathBank: SMP0053119)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-17:0) (PathBank: SMP0053120)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-18:0) (PathBank: SMP0053121)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-19:0) (PathBank: SMP0053122)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-20:0) (PathBank: SMP0053123)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-21:0) (PathBank: SMP0053124)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-22:0) (PathBank: SMP0053125)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-12:0/i-24:0) (PathBank: SMP0053126)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/18:2(9Z,11Z)) (PathBank: SMP0053127)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/a-13:0) (PathBank: SMP0053128)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/a-15:0) (PathBank: SMP0053129)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/a-17:0) (PathBank: SMP0053130)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/a-21:0) (PathBank: SMP0053131)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/a-25:0) (PathBank: SMP0053132)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-12:0) (PathBank: SMP0053133)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-13:0) (PathBank: SMP0053134)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-14:0) (PathBank: SMP0053135)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-15:0) (PathBank: SMP0053136)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-16:0) (PathBank: SMP0053137)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-17:0) (PathBank: SMP0053138)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-18:0) (PathBank: SMP0053139)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-19:0) (PathBank: SMP0053140)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-20:0) (PathBank: SMP0053141)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-21:0) (PathBank: SMP0053142)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-22:0) (PathBank: SMP0053143)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-24:0) (PathBank: SMP0053144)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/18:2(9Z,11Z)) (PathBank: SMP0053145)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/a-13:0) (PathBank: SMP0053146)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/a-15:0) (PathBank: SMP0053147)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/a-17:0) (PathBank: SMP0053148)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/a-21:0) (PathBank: SMP0053149)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/a-25:0) (PathBank: SMP0053150)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-12:0) (PathBank: SMP0053151)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-13:0) (PathBank: SMP0053152)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-14:0) (PathBank: SMP0053153)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-15:0) (PathBank: SMP0053154)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-16:0) (PathBank: SMP0053155)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-17:0) (PathBank: SMP0053156)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-18:0) (PathBank: SMP0053157)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-19:0) (PathBank: SMP0053158)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-20:0) (PathBank: SMP0053159)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-21:0) (PathBank: SMP0053160)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-22:0) (PathBank: SMP0053161)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-24:0) (PathBank: SMP0053162)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/18:2(9Z,11Z)) (PathBank: SMP0053163)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/a-13:0) (PathBank: SMP0053164)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/a-15:0) (PathBank: SMP0053165)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/a-17:0) (PathBank: SMP0053166)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/a-21:0) (PathBank: SMP0053167)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/a-25:0) (PathBank: SMP0053168)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-12:0) (PathBank: SMP0053169)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-13:0) (PathBank: SMP0053170)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-14:0) (PathBank: SMP0053171)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-15:0) (PathBank: SMP0053172)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-16:0) (PathBank: SMP0053173)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-17:0) (PathBank: SMP0053174)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-18:0) (PathBank: SMP0053175)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-19:0) (PathBank: SMP0053176)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-20:0) (PathBank: SMP0053177)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-21:0) (PathBank: SMP0053178)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-22:0) (PathBank: SMP0053179)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-15:0/i-24:0) (PathBank: SMP0053180)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/18:2(9Z,11Z)) (PathBank: SMP0053181)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/a-13:0) (PathBank: SMP0053182)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/a-15:0) (PathBank: SMP0053183)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/a-17:0) (PathBank: SMP0053184)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/a-21:0) (PathBank: SMP0053185)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/a-25:0) (PathBank: SMP0053186)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-12:0) (PathBank: SMP0053187)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-13:0) (PathBank: SMP0053188)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-14:0) (PathBank: SMP0053189)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-15:0) (PathBank: SMP0053190)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-16:0) (PathBank: SMP0053191)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-17:0) (PathBank: SMP0053192)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-18:0) (PathBank: SMP0053193)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-19:0) (PathBank: SMP0053194)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-20:0) (PathBank: SMP0053195)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-21:0) (PathBank: SMP0053196)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-22:0) (PathBank: SMP0053197)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-16:0/i-24:0) (PathBank: SMP0053198)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/18:2(9Z,11Z)) (PathBank: SMP0053199)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/a-13:0) (PathBank: SMP0053200)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/a-15:0) (PathBank: SMP0053201)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/a-17:0) (PathBank: SMP0053202)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/a-21:0) (PathBank: SMP0053203)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/a-25:0) (PathBank: SMP0053204)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-12:0) (PathBank: SMP0053205)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-13:0) (PathBank: SMP0053206)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-14:0) (PathBank: SMP0053207)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-15:0) (PathBank: SMP0053208)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-16:0) (PathBank: SMP0053209)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-17:0) (PathBank: SMP0053210)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-18:0) (PathBank: SMP0053211)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-19:0) (PathBank: SMP0053212)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-20:0) (PathBank: SMP0053213)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-21:0) (PathBank: SMP0053214)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-22:0) (PathBank: SMP0053215)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-17:0/i-24:0) (PathBank: SMP0053216)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/18:2(9Z,11Z)) (PathBank: SMP0053217)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/a-13:0) (PathBank: SMP0053218)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/a-15:0) (PathBank: SMP0053219)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/a-17:0) (PathBank: SMP0053220)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/a-21:0) (PathBank: SMP0053221)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/a-25:0) (PathBank: SMP0053222)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-12:0) (PathBank: SMP0053223)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-13:0) (PathBank: SMP0053224)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-14:0) (PathBank: SMP0053225)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-15:0) (PathBank: SMP0053226)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-16:0) (PathBank: SMP0053227)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-17:0) (PathBank: SMP0053228)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-18:0) (PathBank: SMP0053229)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-19:0) (PathBank: SMP0053230)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-20:0) (PathBank: SMP0053231)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-21:0) (PathBank: SMP0053232)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-22:0) (PathBank: SMP0053233)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-18:0/i-24:0) (PathBank: SMP0053234)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/18:2(9Z,11Z)) (PathBank: SMP0053235)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/a-13:0) (PathBank: SMP0053236)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/a-15:0) (PathBank: SMP0053237)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/a-17:0) (PathBank: SMP0053238)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/a-21:0) (PathBank: SMP0053239)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/a-25:0) (PathBank: SMP0053240)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-12:0) (PathBank: SMP0053241)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-13:0) (PathBank: SMP0053242)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-14:0) (PathBank: SMP0053243)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-15:0) (PathBank: SMP0053244)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-16:0) (PathBank: SMP0053245)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-17:0) (PathBank: SMP0053246)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-19:0) (PathBank: SMP0053247)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-20:0) (PathBank: SMP0053248)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-21:0) (PathBank: SMP0053249)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-22:0) (PathBank: SMP0053250)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-19:0/i-24:0) (PathBank: SMP0053251)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/18:2(9Z,11Z)) (PathBank: SMP0053252)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/a-13:0) (PathBank: SMP0053253)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/a-15:0) (PathBank: SMP0053254)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/a-17:0) (PathBank: SMP0053255)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/a-21:0) (PathBank: SMP0053256)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/a-25:0) (PathBank: SMP0053257)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-12:0) (PathBank: SMP0053258)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-13:0) (PathBank: SMP0053259)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-14:0) (PathBank: SMP0053260)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-15:0) (PathBank: SMP0053261)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-16:0) (PathBank: SMP0053262)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-17:0) (PathBank: SMP0053263)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-18:0) (PathBank: SMP0053264)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-19:0) (PathBank: SMP0053265)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-20:0) (PathBank: SMP0053266)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-21:0) (PathBank: SMP0053267)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-22:0) (PathBank: SMP0053268)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-20:0/i-24:0) (PathBank: SMP0053269)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/18:2(9Z,11Z)) (PathBank: SMP0053270)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/a-13:0) (PathBank: SMP0053271)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/a-15:0) (PathBank: SMP0053272)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/a-17:0) (PathBank: SMP0053273)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/a-21:0) (PathBank: SMP0053274)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/a-25:0) (PathBank: SMP0053275)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-12:0) (PathBank: SMP0053276)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-13:0) (PathBank: SMP0053277)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-14:0) (PathBank: SMP0053278)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-15:0) (PathBank: SMP0053279)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-16:0) (PathBank: SMP0053280)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-17:0) (PathBank: SMP0053281)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-18:0) (PathBank: SMP0053282)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-19:0) (PathBank: SMP0053283)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-20:0) (PathBank: SMP0053284)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-21:0) (PathBank: SMP0053285)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-22:0) (PathBank: SMP0053286)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-21:0/i-24:0) (PathBank: SMP0053287)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/18:2(9Z,11Z)) (PathBank: SMP0053288)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/a-13:0) (PathBank: SMP0053289)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/a-15:0) (PathBank: SMP0053290)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/a-17:0) (PathBank: SMP0053291)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/a-21:0) (PathBank: SMP0053292)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/a-25:0) (PathBank: SMP0053293)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-12:0) (PathBank: SMP0053294)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-13:0) (PathBank: SMP0053295)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-14:0) (PathBank: SMP0053296)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-15:0) (PathBank: SMP0053297)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-16:0) (PathBank: SMP0053298)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-17:0) (PathBank: SMP0053299)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-18:0) (PathBank: SMP0053300)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-19:0) (PathBank: SMP0053301)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-20:0) (PathBank: SMP0053302)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-21:0) (PathBank: SMP0053303)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-22:0) (PathBank: SMP0053304)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-22:0/i-24:0) (PathBank: SMP0053305)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/18:2(9Z,11Z)) (PathBank: SMP0053306)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/a-13:0) (PathBank: SMP0053307)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/a-15:0) (PathBank: SMP0053308)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/a-17:0) (PathBank: SMP0053309)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/a-21:0) (PathBank: SMP0053310)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/a-25:0) (PathBank: SMP0053311)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-12:0) (PathBank: SMP0053312)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-13:0) (PathBank: SMP0053313)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-14:0) (PathBank: SMP0053314)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-15:0) (PathBank: SMP0053315)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-16:0) (PathBank: SMP0053316)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-17:0) (PathBank: SMP0053317)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-18:0) (PathBank: SMP0053318)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-19:0) (PathBank: SMP0053319)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-20:0) (PathBank: SMP0053320)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-21:0) (PathBank: SMP0053321)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-22:0) (PathBank: SMP0053322)
- Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-24:0/i-24:0) (PathBank: SMP0053323)
|
---|
Role | Not Available |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
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-12:0/i-18:0),1TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C | 4233.1 | Semi standard non polar | 33892256 | PA(i-12:0/i-18:0),1TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C | 3734.9 | Standard non polar | 33892256 | PA(i-12:0/i-18:0),1TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C | 5144.0 | Standard polar | 33892256 | PA(i-12:0/i-18:0),2TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4240.1 | Semi standard non polar | 33892256 | PA(i-12:0/i-18:0),2TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 3771.3 | Standard non polar | 33892256 | PA(i-12:0/i-18:0),2TMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4486.0 | Standard polar | 33892256 | PA(i-12:0/i-18:0),1TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 4447.4 | Semi standard non polar | 33892256 | PA(i-12:0/i-18:0),1TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 3872.8 | Standard non polar | 33892256 | PA(i-12:0/i-18:0),1TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 5142.4 | Standard polar | 33892256 | PA(i-12:0/i-18:0),2TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4686.5 | Semi standard non polar | 33892256 | PA(i-12:0/i-18:0),2TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3991.5 | Standard non polar | 33892256 | PA(i-12:0/i-18:0),2TBDMS,isomer #1 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4583.4 | Standard polar | 33892256 |
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Spectra |
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| MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 10V, Positive-QTOF | splash10-00dr-1695246000-65f66e2ebd30577e4d96 | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 20V, Positive-QTOF | splash10-00lb-4793131000-e79ebcc6dd044f84c4ba | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 40V, Positive-QTOF | splash10-0a6r-3490140000-ebe7d2178e9feac92e89 | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 10V, Negative-QTOF | splash10-00ls-4933003000-f3f1ee53ec7136f935b5 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 20V, Negative-QTOF | splash10-004j-9500000000-8d20f4a941ba14e3a019 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 40V, Negative-QTOF | splash10-004i-9000000000-97c8c6dfa7043bc4e7c4 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 10V, Positive-QTOF | splash10-0006-0000009000-0fced86a21500373c9c1 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 20V, Positive-QTOF | splash10-0008-0000099000-69ae50cbbe469c0137f9 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 40V, Positive-QTOF | splash10-0006-0009946000-4756e403db1e7278eb73 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 10V, Negative-QTOF | splash10-014i-0000009000-7034fdc92b1f97d5a103 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 20V, Negative-QTOF | splash10-014r-1659607000-6a3a0372f92e66800d53 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 40V, Negative-QTOF | splash10-000t-1952201000-5f2f7c93bfcfee4c9f1d | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 10V, Positive-QTOF | splash10-0uk9-0000009000-70aa8e33cde77745a7a5 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 20V, Positive-QTOF | splash10-00di-0000059000-ead56966e85a342e7135 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-12:0/i-18:0) 40V, Positive-QTOF | splash10-00di-0006693000-1d88e11ab7f94b595dd7 | 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 | 131822443 |
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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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