Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:36:49 UTC |
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Update date | 2020-09-17 15:39:23 UTC |
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Primary ID | FDB023917 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | N-Acetyl-L-glutamyl 5-phosphate |
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Description | N-Acetyl-L-glutamyl 5-phosphate, also known as N-acetyl-5-glutamyl phosphoric acid, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-Acetyl-L-glutamyl 5-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). N-Acetyl-L-glutamyl 5-phosphate exists in all living species, ranging from bacteria to humans. |
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CAS Number | 15383-57-0 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C7H12NO8P |
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IUPAC name | (2S)-2-acetamido-5-oxo-5-(phosphonooxy)pentanoic acid |
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InChI Identifier | InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1 |
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InChI Key | FCVIHFVSXHOPSW-YFKPBYRVSA-N |
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Isomeric SMILES | CC(=O)N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O |
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Average Molecular Weight | 269.1458 |
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Monoisotopic Molecular Weight | 269.030052877 |
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Classification |
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Description | Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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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 | Glutamic acid and derivatives |
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Alternative Parents | |
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Substituents | - Glutamic acid or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- N-acyl-l-alpha-amino acid
- Acyl monophosphate
- Acyl phosphate
- Dicarboxylic acid or derivatives
- Organic phosphoric acid derivative
- Fatty acid
- Acetamide
- Secondary carboxylic acid amide
- Carboxylic acid salt
- Carboxamide group
- Carboxylic acid
- Carbonyl group
- Organic salt
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Organic oxide
- Hydrocarbon derivative
- 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 | Biological location: Source: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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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 | N-Acetyl-L-glutamyl 5-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9010000000-b0a55da1a5a5b19cb1d4 | Spectrum | Predicted GC-MS | N-Acetyl-L-glutamyl 5-phosphate, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-006t-9010000000-42bde2dc702d9b13da76 | Spectrum | Predicted GC-MS | N-Acetyl-L-glutamyl 5-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-9050000000-71b3eb12e2ae4f419455 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-eb5a9659d9563f71cfed | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-9428bc78f2587e624b2e | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-9010000000-fdf484605ec8efcf1973 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-5c2f91e14126fc9d0952 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-7084495cb0b628b5da4a | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0fka-3690000000-1006721922db38442ba6 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-007k-4930000000-eb999b44d4988128c1c9 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9500000000-78a70933fe87b25941ad | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00b9-0090000000-041c62aaf9a011fbf28a | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-003r-2930000000-e4bd8858ef8860dc9111 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0035-9400000000-2015735feb749a5b240b | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 389220 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C04133 |
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Pubchem Compound ID | 440236 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16878 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB06456 |
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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 | 43209 |
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KNApSAcK ID | Not Available |
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HET ID | X2W |
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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 | Not Available |
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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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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 | Not Available |
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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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