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 05:58:29 UTC |
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Update Date | 2022-11-30 19:26:21 UTC |
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HMDB ID | HMDB0115794 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | PA(i-13:0/a-13:0) |
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Description | PA(i-13:0/a-13:0) 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/a-13:0), in particular, consists of one chain of isotridecanoic acid at the C-1 position and one chain of anteisotridecanoic 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)CCCCCCCCC(C)CC InChI=1S/C29H57O8P/c1-5-26(4)20-16-12-9-10-14-18-22-29(31)37-27(24-36-38(32,33)34)23-35-28(30)21-17-13-8-6-7-11-15-19-25(2)3/h25-27H,5-24H2,1-4H3,(H2,32,33,34)/t26?,27-/m1/s1 |
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Synonyms | Value | Source |
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1-Isotridecanoyl-2-anteisotridecanoyl-sn-glycero-3-phosphate | HMDB | 1-Isotridecanoyl-2-anteisotridecanoyl-sn-phosphatidic acid | HMDB | PA(26:0) | HMDB | Phosphatidic acid(i-13:0/a-13:0) | HMDB | Phosphatidic acid(26:0) | HMDB | Phosphatidate(I-13:0/A-13:0) | HMDB | Phosphatidate(26:0) | HMDB | [(2R)-2-[(10-Methyldodecanoyl)oxy]-3-[(11-methyldodecanoyl)oxy]propoxy]phosphonate | HMDB | PA(i-13:0/a-13:0) | SMPDB |
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Chemical Formula | C29H57O8P |
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Average Molecular Weight | 564.741 |
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Monoisotopic Molecular Weight | 564.379105793 |
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IUPAC Name | [(2R)-2-[(10-methyldodecanoyl)oxy]-3-[(11-methyldodecanoyl)oxy]propoxy]phosphonic acid |
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Traditional Name | (2R)-2-[(10-methyldodecanoyl)oxy]-3-[(11-methyldodecanoyl)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)CCCCCCCCC(C)CC |
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InChI Identifier | InChI=1S/C29H57O8P/c1-5-26(4)20-16-12-9-10-14-18-22-29(31)37-27(24-36-38(32,33)34)23-35-28(30)21-17-13-8-6-7-11-15-19-25(2)3/h25-27H,5-24H2,1-4H3,(H2,32,33,34)/t26?,27-/m1/s1 |
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InChI Key | RAJSKMPQNUBQDI-SSYAZFEXSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 1,2-diacylglycerol-3-phosphates. These are glycerol-3-phosphates in which the glycerol moiety is bonded to two aliphatic chains through ester linkages. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Glycerophospholipids |
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Sub Class | Glycerophosphates |
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Direct Parent | 1,2-diacylglycerol-3-phosphates |
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Alternative Parents | |
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Substituents | - 1,2-diacylglycerol-3-phosphate
- Fatty acid ester
- Monoalkyl phosphate
- Dicarboxylic acid or derivatives
- Fatty acyl
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Carboxylic acid ester
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Organooxygen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Naturally occurring processBiological processBiochemical pathwayDisease pathway- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/18:2(9Z,11Z)) (PathBank: SMP0055262)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/a-13:0) (PathBank: SMP0055263)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-13:0) (PathBank: SMP0055269)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-17:0) (PathBank: SMP0055273)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-22:0) (PathBank: SMP0055278)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/a-15:0) (PathBank: SMP0055282)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/18:2(9Z,11Z)) (PathBank: SMP0055298)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/a-13:0) (PathBank: SMP0055299)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-14:0) (PathBank: SMP0055306)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-19:0) (PathBank: SMP0055311)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-22:0) (PathBank: SMP0055314)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/a-15:0) (PathBank: SMP0055318)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/a-21:0) (PathBank: SMP0055320)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-13:0) (PathBank: SMP0055323)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-20:0) (PathBank: SMP0055330)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-17:0) (PathBank: SMP0055346)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-18:0) (PathBank: SMP0055347)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-14:0) (PathBank: SMP0055361)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/18:2(9Z,11Z)) (PathBank: SMP0055371)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/a-17:0) (PathBank: SMP0055374)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-15:0) (PathBank: SMP0055380)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-16:0) (PathBank: SMP0055381)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-24:0) (PathBank: SMP0055388)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/a-15:0) (PathBank: SMP0055391)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/a-25:0) (PathBank: SMP0055394)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-12:0) (PathBank: SMP0055395)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-14:0) (PathBank: SMP0055397)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-24:0) (PathBank: SMP0055406)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-13:0) (PathBank: SMP0055414)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-14:0) (PathBank: SMP0055415)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-15:0) (PathBank: SMP0055416)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-12:0) (PathBank: SMP0055431)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-14:0) (PathBank: SMP0055433)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-17:0) (PathBank: SMP0055436)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-21:0) (PathBank: SMP0055440)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-24:0) (PathBank: SMP0055442)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/a-21:0) (PathBank: SMP0055447)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-14:0) (PathBank: SMP0055451)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-21:0) (PathBank: SMP0055458)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/a-17:0) (PathBank: SMP0055464)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-15:0) (PathBank: SMP0055470)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-17:0) (PathBank: SMP0055472)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-18:0) (PathBank: SMP0055473)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-20:0) (PathBank: SMP0055475)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-22:0) (PathBank: SMP0055477)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/a-13:0) (PathBank: SMP0055480)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/a-17:0) (PathBank: SMP0055482)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/a-21:0) (PathBank: SMP0055483)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/a-25:0) (PathBank: SMP0055484)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-12:0) (PathBank: SMP0055485)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-15:0) (PathBank: SMP0055488)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-17:0) (PathBank: SMP0055490)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-22:0) (PathBank: SMP0055495)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-14:0) (PathBank: SMP0055505)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-16:0) (PathBank: SMP0055507)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-17:0) (PathBank: SMP0055508)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/a-25:0) (PathBank: SMP0055520)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-13:0) (PathBank: SMP0055522)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-15:0) (PathBank: SMP0055524)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-17:0) (PathBank: SMP0055526)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-19:0) (PathBank: SMP0055528)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-22:0) (PathBank: SMP0055531)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/a-21:0) (PathBank: SMP0055536)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/a-25:0) (PathBank: SMP0055537)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-12:0) (PathBank: SMP0055538)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-14:0) (PathBank: SMP0055540)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-19:0) (PathBank: SMP0055545)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-20:0) (PathBank: SMP0055546)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-24:0) (PathBank: SMP0055549)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/a-15:0) (PathBank: SMP0055552)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-12:0) (PathBank: SMP0055556)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-22:0) (PathBank: SMP0055566)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/a-15:0) (PathBank: SMP0055570)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-12:0) (PathBank: SMP0055574)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-13:0) (PathBank: SMP0055575)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-14:0) (PathBank: SMP0055576)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-19:0) (PathBank: SMP0055581)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/a-15:0) (PathBank: SMP0055264)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/a-17:0) (PathBank: SMP0055265)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/a-25:0) (PathBank: SMP0055267)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-19:0) (PathBank: SMP0055275)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-21:0) (PathBank: SMP0055277)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/18:2(9Z,11Z)) (PathBank: SMP0055280)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/a-13:0) (PathBank: SMP0055281)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/a-17:0) (PathBank: SMP0055283)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-13:0) (PathBank: SMP0055287)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-16:0) (PathBank: SMP0055290)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-22:0) (PathBank: SMP0055296)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-24:0) (PathBank: SMP0055297)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/a-25:0) (PathBank: SMP0055303)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-12:0) (PathBank: SMP0055304)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-15:0) (PathBank: SMP0055307)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/18:2(9Z,11Z)) (PathBank: SMP0055316)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-14:0) (PathBank: SMP0055324)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-21:0) (PathBank: SMP0055331)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/a-15:0) (PathBank: SMP0055336)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-13:0) (PathBank: SMP0055342)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-15:0) (PathBank: SMP0055344)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-19:0) (PathBank: SMP0055348)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-22:0) (PathBank: SMP0055351)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/18:2(9Z,11Z)) (PathBank: SMP0055353)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/a-17:0) (PathBank: SMP0055356)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-16:0) (PathBank: SMP0055363)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-17:0) (PathBank: SMP0055364)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-18:0) (PathBank: SMP0055365)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-19:0) (PathBank: SMP0055366)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-20:0) (PathBank: SMP0055367)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-22:0) (PathBank: SMP0055369)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-24:0) (PathBank: SMP0055370)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/a-13:0) (PathBank: SMP0055372)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-18:0) (PathBank: SMP0055383)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-22:0) (PathBank: SMP0055387)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/18:2(9Z,11Z)) (PathBank: SMP0055389)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/a-21:0) (PathBank: SMP0055393)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-15:0) (PathBank: SMP0055398)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-16:0) (PathBank: SMP0055399)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-21:0) (PathBank: SMP0055404)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-22:0) (PathBank: SMP0055405)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/18:2(9Z,11Z)) (PathBank: SMP0055407)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/a-13:0) (PathBank: SMP0055408)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/a-17:0) (PathBank: SMP0055410)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-12:0) (PathBank: SMP0055413)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-16:0) (PathBank: SMP0055417)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-17:0) (PathBank: SMP0055418)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-18:0) (PathBank: SMP0055419)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-24:0) (PathBank: SMP0055424)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/18:2(9Z,11Z)) (PathBank: SMP0055425)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/a-13:0) (PathBank: SMP0055426)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/a-15:0) (PathBank: SMP0055427)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/a-25:0) (PathBank: SMP0055430)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-16:0) (PathBank: SMP0055435)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-18:0) (PathBank: SMP0055437)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-20:0) (PathBank: SMP0055439)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-22:0) (PathBank: SMP0055441)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/a-13:0) (PathBank: SMP0055444)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/a-15:0) (PathBank: SMP0055445)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/a-25:0) (PathBank: SMP0055448)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-15:0) (PathBank: SMP0055452)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-16:0) (PathBank: SMP0055453)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-18:0) (PathBank: SMP0055455)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-22:0) (PathBank: SMP0055459)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/18:2(9Z,11Z)) (PathBank: SMP0055461)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/a-21:0) (PathBank: SMP0055465)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-13:0) (PathBank: SMP0055468)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-19:0) (PathBank: SMP0055474)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-21:0) (PathBank: SMP0055476)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-24:0) (PathBank: SMP0055478)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/18:2(9Z,11Z)) (PathBank: SMP0055479)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-13:0) (PathBank: SMP0055486)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-16:0) (PathBank: SMP0055489)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-18:0) (PathBank: SMP0055491)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-19:0) (PathBank: SMP0055492)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/a-13:0) (PathBank: SMP0055498)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/a-25:0) (PathBank: SMP0055502)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-15:0) (PathBank: SMP0055506)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-18:0) (PathBank: SMP0055509)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-20:0) (PathBank: SMP0055511)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-22:0) (PathBank: SMP0055513)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-18:0) (PathBank: SMP0055527)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-20:0) (PathBank: SMP0055529)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/a-17:0) (PathBank: SMP0055535)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-17:0) (PathBank: SMP0055543)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-21:0) (PathBank: SMP0055547)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/a-17:0) (PathBank: SMP0055553)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/a-21:0) (PathBank: SMP0055554)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/a-25:0) (PathBank: SMP0055555)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-13:0) (PathBank: SMP0055557)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-17:0) (PathBank: SMP0055561)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/a-17:0) (PathBank: SMP0055571)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/a-21:0) (PathBank: SMP0055572)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/a-25:0) (PathBank: SMP0055573)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-15:0) (PathBank: SMP0055577)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-16:0) (PathBank: SMP0055578)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-17:0) (PathBank: SMP0055579)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-18:0) (PathBank: SMP0055580)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/a-21:0) (PathBank: SMP0055266)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-16:0) (PathBank: SMP0055272)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-18:0) (PathBank: SMP0055274)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-24:0) (PathBank: SMP0055279)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/a-21:0) (PathBank: SMP0055284)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-12:0) (PathBank: SMP0055286)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-17:0) (PathBank: SMP0055291)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-19:0) (PathBank: SMP0055293)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-21:0) (PathBank: SMP0055295)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/a-15:0) (PathBank: SMP0055300)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/a-17:0) (PathBank: SMP0055301)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-16:0) (PathBank: SMP0055308)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-24:0) (PathBank: SMP0055315)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/a-13:0) (PathBank: SMP0055317)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/a-25:0) (PathBank: SMP0055321)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-12:0) (PathBank: SMP0055322)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-15:0) (PathBank: SMP0055325)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-16:0) (PathBank: SMP0055326)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-18:0) (PathBank: SMP0055328)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-19:0) (PathBank: SMP0055329)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-22:0) (PathBank: SMP0055332)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-24:0) (PathBank: SMP0055333)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/18:2(9Z,11Z)) (PathBank: SMP0055334)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/a-13:0) (PathBank: SMP0055335)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/a-17:0) (PathBank: SMP0055337)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-12:0) (PathBank: SMP0055341)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-20:0) (PathBank: SMP0055349)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-24:0) (PathBank: SMP0055352)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/a-15:0) (PathBank: SMP0055355)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/a-21:0) (PathBank: SMP0055357)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/a-25:0) (PathBank: SMP0055358)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-21:0) (PathBank: SMP0055368)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/a-15:0) (PathBank: SMP0055373)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-13:0) (PathBank: SMP0055378)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-19:0) (PathBank: SMP0055384)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-20:0) (PathBank: SMP0055385)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/a-13:0) (PathBank: SMP0055390)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-13:0) (PathBank: SMP0055396)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-17:0) (PathBank: SMP0055400)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-19:0) (PathBank: SMP0055402)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-20:0) (PathBank: SMP0055403)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/a-15:0) (PathBank: SMP0055409)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/a-21:0) (PathBank: SMP0055411)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-21:0) (PathBank: SMP0055422)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-22:0) (PathBank: SMP0055423)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/a-21:0) (PathBank: SMP0055429)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-15:0) (PathBank: SMP0055434)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/18:2(9Z,11Z)) (PathBank: SMP0055443)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-12:0) (PathBank: SMP0055449)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-13:0) (PathBank: SMP0055450)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/a-15:0) (PathBank: SMP0055463)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-16:0) (PathBank: SMP0055471)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/a-15:0) (PathBank: SMP0055481)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-14:0) (PathBank: SMP0055487)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-20:0) (PathBank: SMP0055493)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-24:0) (PathBank: SMP0055496)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/a-17:0) (PathBank: SMP0055500)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/a-21:0) (PathBank: SMP0055501)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-12:0) (PathBank: SMP0055503)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-21:0) (PathBank: SMP0055512)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/a-17:0) (PathBank: SMP0055518)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/a-21:0) (PathBank: SMP0055519)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-12:0) (PathBank: SMP0055521)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-14:0) (PathBank: SMP0055523)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-24:0) (PathBank: SMP0055532)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/a-13:0) (PathBank: SMP0055533)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-15:0) (PathBank: SMP0055541)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-16:0) (PathBank: SMP0055542)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/a-13:0) (PathBank: SMP0055551)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-18:0) (PathBank: SMP0055562)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-19:0) (PathBank: SMP0055563)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-24:0) (PathBank: SMP0055567)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/18:2(9Z,11Z)) (PathBank: SMP0055568)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-20:0) (PathBank: SMP0055582)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-22:0) (PathBank: SMP0055584)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-12:0) (PathBank: SMP0055268)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-14:0) (PathBank: SMP0055270)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-15:0) (PathBank: SMP0055271)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/18:2(9Z,11Z)/i-20:0) (PathBank: SMP0055276)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/a-25:0) (PathBank: SMP0055285)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-14:0) (PathBank: SMP0055288)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-15:0) (PathBank: SMP0055289)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-18:0) (PathBank: SMP0055292)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-13:0/i-20:0) (PathBank: SMP0055294)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/a-21:0) (PathBank: SMP0055302)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-13:0) (PathBank: SMP0055305)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-17:0) (PathBank: SMP0055309)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-18:0) (PathBank: SMP0055310)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-20:0) (PathBank: SMP0055312)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-15:0/i-21:0) (PathBank: SMP0055313)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/a-17:0) (PathBank: SMP0055319)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-17:0/i-17:0) (PathBank: SMP0055327)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/a-21:0) (PathBank: SMP0055338)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/a-25:0) (PathBank: SMP0055340)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-14:0) (PathBank: SMP0055343)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-16:0) (PathBank: SMP0055345)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-21:0/i-21:0) (PathBank: SMP0055350)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/a-13:0) (PathBank: SMP0055354)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-12:0) (PathBank: SMP0055359)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-13:0) (PathBank: SMP0055360)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/a-25:0/i-15:0) (PathBank: SMP0055362)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/a-21:0) (PathBank: SMP0055375)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/a-25:0) (PathBank: SMP0055376)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-12:0) (PathBank: SMP0055377)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-14:0) (PathBank: SMP0055379)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-17:0) (PathBank: SMP0055382)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-12:0/i-21:0) (PathBank: SMP0055386)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/a-17:0) (PathBank: SMP0055392)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-18:0) (PathBank: SMP0055401)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/a-25:0) (PathBank: SMP0055412)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-19:0) (PathBank: SMP0055420)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-20:0) (PathBank: SMP0055421)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/a-17:0) (PathBank: SMP0055428)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-13:0) (PathBank: SMP0055432)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-15:0/i-19:0) (PathBank: SMP0055438)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/a-17:0) (PathBank: SMP0055446)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-17:0) (PathBank: SMP0055454)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-19:0) (PathBank: SMP0055456)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-20:0) (PathBank: SMP0055457)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-16:0/i-24:0) (PathBank: SMP0055460)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/a-13:0) (PathBank: SMP0055462)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/a-25:0) (PathBank: SMP0055466)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-12:0) (PathBank: SMP0055467)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-17:0/i-14:0) (PathBank: SMP0055469)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-18:0/i-21:0) (PathBank: SMP0055494)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/18:2(9Z,11Z)) (PathBank: SMP0055497)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/a-15:0) (PathBank: SMP0055499)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-13:0) (PathBank: SMP0055504)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-19:0) (PathBank: SMP0055510)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-19:0/i-24:0) (PathBank: SMP0055514)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/18:2(9Z,11Z)) (PathBank: SMP0055515)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/a-13:0) (PathBank: SMP0055516)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/a-15:0) (PathBank: SMP0055517)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-16:0) (PathBank: SMP0055525)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-20:0/i-21:0) (PathBank: SMP0055530)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/a-15:0) (PathBank: SMP0055534)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-13:0) (PathBank: SMP0055539)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-18:0) (PathBank: SMP0055544)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-21:0/i-22:0) (PathBank: SMP0055548)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/18:2(9Z,11Z)) (PathBank: SMP0055550)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-14:0) (PathBank: SMP0055558)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-15:0) (PathBank: SMP0055559)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-16:0) (PathBank: SMP0055560)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-20:0) (PathBank: SMP0055564)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-22:0/i-21:0) (PathBank: SMP0055565)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/a-13:0) (PathBank: SMP0055569)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-21:0) (PathBank: SMP0055583)
- Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-24:0/i-24:0) (PathBank: SMP0055585)
|
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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/a-13:0),1TMS,isomer #1 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C | 3835.9 | Semi standard non polar | 33892256 | PA(i-13:0/a-13:0),1TMS,isomer #1 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C | 3376.3 | Standard non polar | 33892256 | PA(i-13:0/a-13:0),1TMS,isomer #1 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C | 4742.4 | Standard polar | 33892256 | PA(i-13:0/a-13:0),2TMS,isomer #1 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 3850.2 | Semi standard non polar | 33892256 | PA(i-13:0/a-13:0),2TMS,isomer #1 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 3403.7 | Standard non polar | 33892256 | PA(i-13:0/a-13:0),2TMS,isomer #1 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 4124.6 | Standard polar | 33892256 | PA(i-13:0/a-13:0),1TBDMS,isomer #1 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 4063.2 | Semi standard non polar | 33892256 | PA(i-13:0/a-13:0),1TBDMS,isomer #1 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 3525.7 | Standard non polar | 33892256 | PA(i-13:0/a-13:0),1TBDMS,isomer #1 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 4772.0 | Standard polar | 33892256 | PA(i-13:0/a-13:0),2TBDMS,isomer #1 | CCC(C)CCCCCCCCC(=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 | 4296.5 | Semi standard non polar | 33892256 | PA(i-13:0/a-13:0),2TBDMS,isomer #1 | CCC(C)CCCCCCCCC(=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 | 3657.1 | Standard non polar | 33892256 | PA(i-13:0/a-13:0),2TBDMS,isomer #1 | CCC(C)CCCCCCCCC(=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 | 4238.1 | Standard polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - PA(i-13:0/a-13:0) GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum |
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/a-13:0) 10V, Positive-QTOF | splash10-00kb-1935240000-3dfec6fc914daa728981 | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 20V, Positive-QTOF | splash10-052b-3922000000-b5eb4198ee120511316a | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 40V, Positive-QTOF | splash10-0pb9-4950300000-8d221c950935ee9f6fc0 | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 10V, Negative-QTOF | splash10-03dj-5694030000-9bd78bbda5f89c94407f | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 20V, Negative-QTOF | splash10-01ta-9330000000-beb4152941258a4774ea | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 40V, Negative-QTOF | splash10-004i-9000000000-0009e8c139330aca3ae3 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 10V, Positive-QTOF | splash10-000i-0000090000-dfde8218ea580f1bd574 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 20V, Positive-QTOF | splash10-000i-0000990000-14005447ee4ff3dd7fa6 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 40V, Positive-QTOF | splash10-0079-0009460000-de42d13725a24b3ce197 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 10V, Positive-QTOF | splash10-00kb-0000090000-bf2f2ce60c522b054af1 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 20V, Positive-QTOF | splash10-014i-0000590000-e1fe6a3f6705500636d8 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 40V, Positive-QTOF | splash10-0gb9-0006930000-ab1819a62a35493ebf76 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 10V, Negative-QTOF | splash10-03di-0000090000-0fd894cbec08e1468612 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 20V, Negative-QTOF | splash10-03di-1167090000-986a8c59c9292b43d431 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - PA(i-13:0/a-13:0) 40V, Negative-QTOF | splash10-03di-1193010000-b183b058e12ea7936d97 | 2021-09-25 | 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 | 74877532 |
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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 | 131822450 |
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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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