Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:12:08 UTC |
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Update date | 2015-10-09 22:30:52 UTC |
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Primary ID | FDB022323 |
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Secondary Accession Numbers | |
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Chemical Information |
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FooDB Name | Traumatic acid |
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Description | Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. [HMDB] |
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CAS Number | 6402-36-4 |
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Structure | |
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Synonyms | Synonym | Source |
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(2E)-Dodecenedioic acid | ChEBI | 2E-Dodecenedioic acid | ChEBI | Dodec-2-enedioic acid | ChEBI | trans-2-Dodecenedioic acid | ChEBI | (2E)-Dodecenedioate | Generator | 2E-Dodecenedioate | Generator | Dodec-2-enedioate | Generator | trans-2-Dodecenedioate | Generator | Traumatate | Generator | (Z)-2-Dodecenedioate | HMDB | (Z)-2-Dodecenedioic acid | HMDB | 1-Decene-1,10-dicarboxylic acid | HMDB | 2-Dodecendioate | HMDB | 2-Dodecendioic acid | HMDB | 2-Dodecenedioate | HMDB | 2-Dodecenedioic acid | HMDB | Dodec-2C-enedioate | HMDB | Dodec-2C-enedioic acid | HMDB | Dodec-2t-enedioate | HMDB | Dodec-2t-enedioic acid | HMDB | Dodecanedioate | HMDB | Dodecanedioic acid | HMDB | Dodecanedioic acid-2-ene | HMDB | trans-Traumatate | HMDB | trans-Traumatic acid | HMDB | 2-Dodecene-1,12-dicarboxylic acid | HMDB | (2e)-Dodecenedioate | Generator | (2e)-Dodecenedioic acid | ChEBI | (Z)-2-dodecenedioate | hmdb | (Z)-2-dodecenedioic acid | hmdb | 2-dodecendioate | hmdb | 2-dodecendioic acid | hmdb | 2E-dodecenedioate | hmdb | 2E-dodecenedioic acid | hmdb | dodec-2-enedioate | hmdb | dodec-2-enedioic acid | hmdb | dodec-2c-enedioate | hmdb | dodec-2c-enedioic acid | hmdb | dodec-2t-enedioate | hmdb | dodec-2t-enedioic acid | hmdb | trans-2-dodecenedioate | hmdb | trans-2-dodecenedioic acid | hmdb | Trans-traumatate | hmdb | Trans-traumatic acid | hmdb |
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Predicted Properties | |
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Chemical Formula | C12H20O4 |
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IUPAC name | (2E)-dodec-2-enedioic acid |
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InChI Identifier | InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+ |
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InChI Key | MAZWDMBCPDUFDJ-VQHVLOKHSA-N |
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Isomeric SMILES | OC(=O)CCCCCCCC\C=C\C(O)=O |
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Average Molecular Weight | 228.2848 |
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Monoisotopic Molecular Weight | 228.136159128 |
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Classification |
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Description | Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
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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 | Fatty acids and conjugates |
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Direct Parent | Medium-chain fatty acids |
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Alternative Parents | |
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Substituents | - Medium-chain fatty acid
- Unsaturated fatty acid
- Dicarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Traumatinic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0159-5900000000-68484d0dfe58678792f6 | Spectrum | Predicted GC-MS | Traumatinic acid, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00ei-5690000000-d4e9dc447f5e9cb32627 | Spectrum | Predicted GC-MS | Traumatinic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Traumatinic acid, TMS_1_1, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Traumatinic acid, TMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Traumatinic acid, TBDMS_1_1, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Traumatinic acid, TBDMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Traumatinic acid, TBDMS_2_1, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated) | splash10-000i-0390000000-fbdef4f440546733d6ff | 2012-07-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated) | splash10-0ars-8940000000-030825564cd79acdb5d1 | 2012-07-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated) | splash10-0a4i-8900000000-f51c2f9058d1c10dd143 | 2012-07-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03fr-0390000000-2a8c785591aec8fbb5a6 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-040r-1940000000-63519f2dee20f2bb486e | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-059l-9400000000-efca9114ed7b26dac71c | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0190000000-07c0b0dbe35c52bd096a | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-056r-0390000000-4887cde057ee3c2d60ae | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9410000000-5f7fb26b05524072cccb | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03fr-2790000000-6a9dfdfdc43b0043ae3c | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0aba-9200000000-bee5de3ec350f5d43097 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4l-9200000000-6ae6163d2fc55c7e8485 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0190000000-1996bc83b0b363681936 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0690000000-a5211c27585596869352 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052g-9500000000-a09d1e00399ea0525370 | 2021-09-24 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | | Spectrum | 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | | Spectrum |
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External Links |
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ChemSpider ID | 4446155 |
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ChEMBL ID | CHEMBL470062 |
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KEGG Compound ID | C16308 |
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Pubchem Compound ID | 5283028 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB00933 |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Traumatic acid |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | show |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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