Record Information |
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Version | 2.0 |
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Creation Date | 2012-07-30 14:55:31 -0600 |
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Update Date | 2015-06-03 17:21:16 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Ectoine |
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Description | Ectoine (1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid) is a natural compound found in several species of bacteria. It is a compatible solute which serves as a protective substance by acting as an osmolyte and thus helps organisms survive extreme osmotic stress. Ectoine is found in high concentrations in halophilic microorganisms and confers resistance towards salt and temperature stress. Ectoine was first identified in the microorganism Ectothiorhodospira halochloris, but has since been found in a wide range of gram-negative and gram-positive bacteria. Some other species ectoine was found in: |
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Structure | |
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Synonyms: | - (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylate
- (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
- (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
- (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
- 1,4,5,6-Tetrahydro-2-methyl-4-pyrimidine carboxylate
- 1,4,5,6-Tetrahydro-2-methyl-4-pyrimidine carboxylic acid
- Ectoine
- L-Ectoine
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Chemical Formula: | C6H10N2O2 |
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Weight: | Average: 142.1558 Monoisotopic: 142.074227574 |
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InChI Key: | WQXNXVUDBPYKBA-UHFFFAOYSA-N |
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InChI: | InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10) |
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CAS number: | Not Available |
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IUPAC Name: | 2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
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Traditional IUPAC Name: | ectoine |
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SMILES: | CC1=NCCC(N1)C(O)=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Alpha amino acids and derivatives |
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Alternative Parents | |
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Substituents | - Alpha-amino acid or derivatives
- Hydropyrimidine carboxylic acid derivative
- Hydropyrimidine
- 1,4,5,6-tetrahydropyrimidine
- Imidolactam
- Amidine
- Carboxylic acid amidine
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Carboximidamide
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organoheterocyclic compound
- Azacycle
- Carbonyl group
- Organonitrogen compound
- Organooxygen compound
- Organic nitrogen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxide
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State: | Not Available |
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Charge: | 0 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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References |
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References: | Not Available |
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | |
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