Identification |
---|
YMDB ID | YMDB00718 |
---|
Name | 1-pyrroline-3-hydroxy-5-carboxylic acid |
---|
Species | Saccharomyces cerevisiae |
---|
Strain | Baker's yeast |
---|
Description | Pyrroline hydroxycarboxylic acid, also known as L-1-pyrroline 3-hydroxy-5-carboxylate or 3-hydroxy-L-1-pyrroline-5-carboxylate, 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. Pyrroline hydroxycarboxylic acid is a moderately basic compound (based on its pKa). Pyrroline hydroxycarboxylic acid exists in all living species, ranging from bacteria to humans. |
---|
Structure | |
---|
Synonyms | - (3R,5S)-1-Pyrroline-3-hydroxy-5-carboxylate
- 1-(p-Nitrophenoxy)-2,3-epoxypropane
- 1,2-Epoxy-3-(p-nitrophenoxy)propane
- 2, 3-Epoxy-1-(p-nitrophenoxy)propane
- 3-hydroxy-l-1-pyrroline-5-carboxylate
- Glycidyl 4-nitrophenyl ether
- Glycidylnitrophenyl ether
- L-1-pyrroline 3-hydroxy-5-carboxylate
- L-1-Pyrroline-3-hydroxy-5-carboxylate
- L-Delta1-pyrroline 3-hydroxy-5-carboxylate
- Oxirane, {[(4-nitrophenoxy)methyl]-}
- p-Nitrophenol glycidyl ether
- p-Nitrophenyl glycidyl ether
- Propane, 1, 2-epoxy-3-(p-nitrophenoxy)-
- pyrroline-hydroxy-carboxylate
- Pyrroline hydroxycarboxylate
- 3,4-Dihydro-3-hydroxy-2H-pyrrole-5-carboxylic acid
- 3-Hydroxy delta 1-pyrroline-5-carboxylic acid
- 3-Hydroxy delta 1-pyrroline-5-carboxylic acid, anion
|
---|
CAS number | Not Available |
---|
Weight | Average: 129.114 Monoisotopic: 129.042593095 |
---|
InChI Key | WFOFKRKDDKGRIK-UHFFFAOYSA-N |
---|
InChI | InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9) |
---|
IUPAC Name | 4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid |
---|
Traditional IUPAC Name | pyrroline-hydroxy-carboxylate |
---|
Chemical Formula | C5H7NO3 |
---|
SMILES | OC1CC(N=C1)C(O)=O |
---|
Chemical Taxonomy |
---|
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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Carboxylic acids and derivatives |
---|
Sub Class | Amino acids, peptides, and analogues |
---|
Direct Parent | Alpha amino acids and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Alpha-amino acid or derivatives
- Pyrroline carboxylic acid
- Pyrroline carboxylic acid or derivatives
- Pyrroline
- Secondary alcohol
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organoheterocyclic compound
- Azacycle
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Hydrocarbon derivative
- Organic nitrogen compound
- Carbonyl group
- Alcohol
- Imine
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | |
---|
Physical Properties |
---|
State | Not Available |
---|
Charge | 0 |
---|
Melting point | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
|
---|
Predicted Properties | |
---|
Biological Properties |
---|
Cellular Locations | |
---|
Organoleptic Properties | Not Available |
---|
SMPDB Pathways | Not Available |
---|
KEGG Pathways | Not Available |
---|
SMPDB Reactions | Not Available |
---|
KEGG Reactions |
|
---|
Concentrations |
---|
Intracellular Concentrations | Not Available |
---|
Extracellular Concentrations | Not Available |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4l-9100000000-81454e4422185c7858e4 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-0a4i-5910000000-0d5241ee660e7a60b0f9 | 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, Positive (Annotated) | splash10-001i-9600000000-8e7afe6ced148f01b715 | JSpectraViewer | MoNA | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-3900000000-91b528e579ac4acfac93 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-02u0-9400000000-c804fee192934438c532 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-9000000000-7da85099ac98a08f5741 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-2900000000-ee7c942618fc6b2d94a9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-02e9-9700000000-1d9848f227e64812ada6 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-015c-9000000000-0d2b20e1b4dbed83a144 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0900000000-06e1bd2d2793c5f0afaa | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0059-9400000000-a84600f4fc13459b9448 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-d2c2d7b1e05ce54b0932 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-9300000000-c26ff3ebe1bb758e5252 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-053r-9000000000-97da4a76921516901d46 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0pc3-9000000000-8982b409276eceb00f1b | 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 |
|
---|
References |
---|
References: | - Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
|
---|
Synthesis Reference: | Not Available |
---|
External Links: | |
---|