You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Yeast Metabolome Database.
Identification |
---|
YMDB ID | YMDB00123 |
---|
Name | L-histidinol phosphate |
---|
Species | Saccharomyces cerevisiae |
---|
Strain | Baker's yeast |
---|
Description | L-histidinol phosphate belongs to the class of organic compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. Based on a literature review very few articles have been published on L-histidinol phosphate. |
---|
Structure | |
---|
Synonyms | - L-Histidinol phosphate
- PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
- PHOSPHate mono-[2-amino-3-(3H-imidazol-4-yl)-propyl]ester
- L-Histidinol phosphoric acid
- L-Histidinol-phosphoric acid
|
---|
CAS number | 25679-93-0 |
---|
Weight | Average: 221.1509 Monoisotopic: 221.056542399 |
---|
InChI Key | CWNDERHTHMWBSI-YFKPBYRVSA-N |
---|
InChI | InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1 |
---|
IUPAC Name | [(2S)-2-amino-3-(1H-imidazol-4-yl)propoxy]phosphonic acid |
---|
Traditional IUPAC Name | L-histidinol phosphate |
---|
Chemical Formula | C6H12N3O4P |
---|
SMILES | N[C@H](COP(O)(O)=O)CC1=CNC=N1 |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Organic phosphoric acids and derivatives |
---|
Sub Class | Phosphate esters |
---|
Direct Parent | Phosphoethanolamines |
---|
Alternative Parents | |
---|
Substituents | - Phosphoethanolamine
- Monoalkyl phosphate
- Aralkylamine
- Alkyl phosphate
- Azole
- Imidazole
- Heteroaromatic compound
- Azacycle
- Organoheterocyclic compound
- Amine
- Hydrocarbon derivative
- Organic oxide
- Primary amine
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
|
---|
Molecular Framework | Aromatic 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 | |
---|
KEGG Pathways | |
---|
SMPDB Reactions | |
---|
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 | splash10-01ot-9400000000-333e612fa190153df384 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0930000000-cc0895a3b67477c5eeff | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ab9-1900000000-cc51981a90f1d800f6f4 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-8900000000-3fa09c1f1dc010de9d7b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00fs-9170000000-dc9d660f4a14ca66a594 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-df617ed344615d266657 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-e746788c3cca47e1c603 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0390000000-4906696b64984e6ddde7 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-2940000000-603ed7f6f5b985649ea7 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053r-9200000000-8c0fe54a8e1f6076fcbb | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-1090000000-c6cd42f4da2ff0f79aba | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-2dd173dfe9a30642b89d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-a5e502a2627af2048a1f | 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 |
|
---|
References |
---|
References: | - UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
- Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
- 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: | |
---|