Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2009-01-08 17:24:13 UTC |
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Update Date | 2022-11-30 19:04:00 UTC |
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HMDB ID | HMDB0011539 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | MG(0:0/18:3(6Z,9Z,12Z)/0:0) |
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Description | MG(0:0/18:3(6Z,9Z,12Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed 'alpha-monoacylglycerols', while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well. |
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Structure | [H]C(CO)(CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,12-13,20,22-23H,2-5,8,11,14-19H2,1H3/b7-6-,10-9-,13-12- |
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Synonyms | Value | Source |
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1-Monoacylglyceride | HMDB | 1-Monoacylglycerol | HMDB | 2-(6Z,9Z,12Z-Octadecatrienoyl)-rac-glycerol | HMDB | 2-g-Linolenoyl-glycerol | HMDB | 2-gamma-Linolenoyl-glycerol | HMDB | b-Monoacylglycerol | HMDB | beta-Monoacylglycerol | HMDB | MAG(0:0/18:3) | HMDB | MAG(0:0/18:3n6) | HMDB | MAG(0:0/18:3W6) | HMDB | MAG(18:3) | HMDB | MG(0:0/18:3) | HMDB | MG(0:0/18:3n6) | HMDB | MG(0:0/18:3W6) | HMDB | MG(18:3) | HMDB |
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Chemical Formula | C21H36O4 |
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Average Molecular Weight | 352.5081 |
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Monoisotopic Molecular Weight | 352.26135964 |
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IUPAC Name | 1,3-dihydroxypropan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
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Traditional Name | 1,3-dihydroxypropan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
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CAS Registry Number | Not Available |
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SMILES | [H]C(CO)(CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC |
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InChI Identifier | InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,12-13,20,22-23H,2-5,8,11,14-19H2,1H3/b7-6-,10-9-,13-12- |
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InChI Key | BXAXVVVVPFELOK-QNEBEIHSSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Lineolic acids and derivatives |
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Direct Parent | Lineolic acids and derivatives |
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Alternative Parents | |
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Substituents | - Octadecanoid
- 2-acyl-sn-glycerol
- Monoacylglycerol
- Monoradylglycerol
- Fatty acid ester
- Glycerolipid
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Primary alcohol
- Alcohol
- 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 processChemical reactionBiochemical processCellular processBiochemical pathway- Lipid metabolism pathway (HMDB: HMDB0011539)
Metabolic pathway- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0012528)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0012529)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0012530)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0012531)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0012532)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0012533)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0012534)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0012535)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0012536)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0012537)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0012538)
- Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0012539)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0012672)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0012673)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0012674)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0012675)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0012676)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0012677)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0012678)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0012679)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0012680)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0012681)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0012682)
- Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0012683)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0012816)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0012817)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0012818)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0012819)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0012820)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0012821)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0012822)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0012823)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0012824)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0012825)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0012826)
- Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0012827)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0012960)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0012961)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0012962)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0012963)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0012964)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0012965)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0012966)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0012967)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0012968)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0012969)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0012970)
- Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0012971)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0013104)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0013105)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0013106)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0013107)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0013108)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0013109)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0013110)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0013111)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0013112)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0013113)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0013114)
- Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0013115)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0013248)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0013249)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0013250)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0013251)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0013252)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0013253)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0013254)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0013255)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0013256)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0013257)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0013258)
- Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0013259)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0013389)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0013390)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0013391)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0013392)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0013393)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0013394)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0013395)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0013396)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0013397)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0013398)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0013399)
- Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0013400)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0013533)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0013534)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0013535)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0013536)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0013537)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0013538)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0013539)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0013540)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0013541)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0013542)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0013543)
- Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0013544)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0013677)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0013678)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0013679)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0013680)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0013681)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0013682)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0013683)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0013684)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0013685)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0013686)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0013687)
- Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0013688)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0013822)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0013823)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0013824)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0013825)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0013826)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0013827)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0013828)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0013829)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0013830)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0013831)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0013832)
- Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0013833)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0013967)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0013968)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0013969)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0013970)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0013971)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0013972)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0013973)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0013974)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0013975)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0013976)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0013977)
- Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0013978)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/16:0) (PathBank: SMP0014113)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:0) (PathBank: SMP0014114)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:1(9Z)) (PathBank: SMP0014115)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (PathBank: SMP0014116)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0014117)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0014118)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0014119)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0014120)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0014121)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0014122)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0014123)
- Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0014124)
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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MG(0:0/18:3(6Z,9Z,12Z)/0:0),1TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO[Si](C)(C)C | 2707.1 | Semi standard non polar | 33892256 | MG(0:0/18:3(6Z,9Z,12Z)/0:0),2TMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C | 2763.8 | Semi standard non polar | 33892256 | MG(0:0/18:3(6Z,9Z,12Z)/0:0),1TBDMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO[Si](C)(C)C(C)(C)C | 2940.4 | Semi standard non polar | 33892256 | MG(0:0/18:3(6Z,9Z,12Z)/0:0),2TBDMS,isomer #1 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C | 3220.2 | Semi standard non polar | 33892256 |
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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 - MG(0:0/18:3(6Z,9Z,12Z)/0:0) GC-MS (2 TMS) - 70eV, Positive | splash10-0i7i-6490100000-a204bb9fa33dd165192c | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | 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 - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 10V, Negative-QTOF | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 20V, Negative-QTOF | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 40V, Negative-QTOF | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 10V, Negative-QTOF | splash10-00dl-9011000000-7837aa5ddbb52eccfe05 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 20V, Negative-QTOF | splash10-0abc-9051000000-490eeba4610222a6246f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 40V, Negative-QTOF | splash10-0a4i-9350000000-230be145029de9555164 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 10V, Positive-QTOF | splash10-00di-0009000000-87561ddc849e8cd4e903 | 2017-10-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 20V, Positive-QTOF | splash10-0ur0-0009000000-6d16beb5877d971e135e | 2017-10-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 40V, Positive-QTOF | splash10-0ur2-0049000000-33b2c82d332bc81d2766 | 2017-10-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 10V, Positive-QTOF | splash10-004i-0009000000-090a59acebb84ada146f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 20V, Positive-QTOF | splash10-004i-0009000000-090a59acebb84ada146f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 40V, Positive-QTOF | splash10-0vk9-0009000000-7ab914a8b6d96b9ad417 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 10V, Positive-QTOF | splash10-00di-0009000000-9f4ee23bf0cdb2d85a4b | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 20V, Positive-QTOF | splash10-0uk9-0009000000-c83819a1597694039b23 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 40V, Positive-QTOF | splash10-0udk-0079000000-d224bc6b038aba67dcff | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 10V, Positive-QTOF | splash10-0udi-0009000000-439417b15b92b5f4ecd8 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 20V, Positive-QTOF | splash10-0ui0-0079000000-7dafb35a2685c76b04e2 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - MG(0:0/18:3(6Z,9Z,12Z)/0:0) 40V, Positive-QTOF | splash10-01ti-0095000000-df93ed24dab2f02a9b7f | 2021-09-25 | Wishart Lab | View Spectrum |
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