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Identification |
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YMDB ID | YMDB01322 |
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Name | Salicylic acid |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | Salicylic acid, also known as 2-carboxyphenol or 2-hydroxybenzoate, belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids. Salicylic acid exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on Salicylic acid. |
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Structure | |
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Synonyms | - 2-Carboxyphenol
- 2-Hydroxybenzenecarboxylate
- 2-Hydroxybenzenecarboxylic acid
- 2-Hydroxybenzoate
- 2-Hydroxybenzoic acid
- Benzoic acid, 2-hydroxy-
- Benzoic acid, o-hydroxy-
- o-Carboxyphenol
- o-Hydroxybenzoate
- o-Hydroxybenzoic acid
- Orthohydroxybenzoic acid
- Phenol-2-carboxylate
- Phenol-2-carboxylic acid
- Psoriacid-S-Stift
- Salicyclic acid
- Salicylate
- Salicylic acid
- Saligel
- Salonil
- Trans-Ver-Sal
- 2 Hydroxybenzoic acid
- Acid, 2-hydroxybenzoic
- Acid, salicylic
- Acid, O-hydroxybenzoic
- Acid, ortho-hydroxybenzoic
- O Hydroxybenzoic acid
- Ortho hydroxybenzoic acid
- Ortho-hydroxybenzoic acid
- Advanced pain relief callus removers
- Advanced pain relief corn removers
- Clear away wart remover
- Compound W
- Dr. scholl's callus removers
- Dr. scholl's corn removers
- Dr. scholl's wart remover kit
- Duofil wart remover
- Duoplant
- Freezone
- Ionil
- Ionil plus
- K 537
- K 557
- Retarder W
- Rutranex
- Salicylic acid collodion
- Salicylic acid soap
- Stri-dex
- SA
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CAS number | 69-72-7 |
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Weight | Average: 138.1207 Monoisotopic: 138.031694058 |
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InChI Key | YGSDEFSMJLZEOE-UHFFFAOYSA-N |
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InChI | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) |
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IUPAC Name | 2-hydroxybenzoic acid |
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Traditional IUPAC Name | salicylic |
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Chemical Formula | C7H6O3 |
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SMILES | OC(=O)C1=CC=CC=C1O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzoic acids and derivatives |
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Direct Parent | Salicylic acids |
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Alternative Parents | |
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Substituents | - Salicylic acid
- Benzoic acid
- Benzoyl
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Vinylogous acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Solid |
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Charge | 0 |
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Melting point | 158 °C |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | 2.24 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] | PhysProp | LogP | 2.26 [HANSCH,C ET AL. (1995)] | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | |
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Organoleptic Properties | |
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SMPDB Pathways | |
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KEGG Pathways | |
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SMPDB Reactions | Not Available |
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KEGG Reactions | Not Available |
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Concentrations |
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Intracellular Concentrations | Not Available |
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Extracellular Concentrations | Not Available |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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GC-MS | GC-MS Spectrum - GC-MS (2 TMS) | splash10-014i-3890000000-62eae168a9d7ab3ada6f | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-00du-9700000000-e1e2ee6b61d86c596403 | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-014i-3890000000-62eae168a9d7ab3ada6f | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-014i-2960000000-1b6b46cbb2b643b71448 | JSpectraViewer | MoNA | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0079-8900000000-e8ee46d81fcc1ce3766e | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-006x-8950000000-9ed3a56f2b2654ba281f | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated) | splash10-059j-9600000000-54545731fceee84be340 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated) | splash10-00xu-9500000000-2f1c989b672669aaf083 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated) | splash10-0gb9-9000000000-a0049e982e8ecd7ab730 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative | splash10-000i-0900000000-f1e71df6894bcc8dda74 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative | splash10-0006-9200000000-f9fd317c182ec7ca90dc | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative | splash10-0006-9000000000-2b17aea4ee0ddd6321cf | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative | splash10-0006-9000000000-320b7cd879b61439cf42 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative | splash10-0006-9000000000-7d1b96d60026076a7ecc | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - ESI-TOF , Negative | splash10-002b-0496100000-97708001d2a6d031beff | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - ESI-TOF 10V, Negative | splash10-002b-0496100000-97708001d2a6d031beff | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - ESI-TOF , Negative | splash10-002b-0496100000-97708001d2a6d031beff | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - ESI-TOF 10V, Negative | splash10-000i-0900000000-f88c693bac9b89416a52 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - DI-ESI-qTof , Positive | splash10-00di-0900000000-2aeace8112266d938c2b | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , negative | splash10-0006-9400000000-b0fb5458dfa73429b976 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , negative | splash10-0006-9400000000-b0fb5458dfa73429b976 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , negative | splash10-0006-9100000000-237ee14e8af5262c0dab | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , negative | splash10-0006-9000000000-3ec5d7a9114e37b8af2a | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , negative | splash10-0006-9000000000-d8fdab29114453b10280 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , negative | splash10-0006-9000000000-4a337e3639c9f42a9000 | JSpectraViewer | MoNA | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-2900000000-23d1cf43d4dedc979389 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0076-8900000000-f8b39b175209523386d0 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-9000000000-549ee40f4c3d2a965b2d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000l-6900000000-06bd3bf75f92d507fd8d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9100000000-fd107d170618784f2f1f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-3fc7a3b941f5e3e4f7dd | JSpectraViewer | MS | Mass Spectrum (Electron Ionization) | splash10-00du-9600000000-6d4a0ff2d48d814b5c54 | JSpectraViewer | MoNA | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 2D NMR | [1H,1H] 2D NMR Spectrum | Not Available | JSpectraViewer | 2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | JSpectraViewer |
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References |
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References: | - Okabe, Y., Katayama, N., Iwama, M., Watanabe, H., Ohgi, K., Irie, M., Nitta, K., Kawauchi, H., Takayanagi, Y., Oyama, F., et, a. l. .. (1991). "Comparative base specificity, stability, and lectin activity of two lectins from eggs of Rana catesbeiana and R. japonica and liver ribonuclease from R. catesbeiana." J Biochem 109:786-790.1917903
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Synthesis Reference: | Yin, Yingwu; Guo, Qingbin. Preparation of salicylic acid from phenol. Faming Zhuanli Shenqing Gongkai Shuomingshu (2005), 7pp. |
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External Links: | |
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