| Record Information |
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| Version | 1.0 |
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| Creation date | 2020-04-03 16:30:11 UTC |
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| Update date | 2020-04-03 16:30:13 UTC |
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| Primary ID | FDB098105 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Fosfomycin |
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| Description | Fosfomycin, also known as phosphonomycin or FCM, belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid. Fosfomycin has been detected, but not quantified in, milk (cow). This could make fosfomycin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Fosfomycin. |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C3H7O4P |
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| IUPAC name | [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid |
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| InChI Identifier | InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1 |
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| InChI Key | YMDXZJFXQJVXBF-STHAYSLISA-N |
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| Isomeric SMILES | [H][C@@]1(C)O[C@]1([H])P(O)(O)=O |
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| Average Molecular Weight | 138.059 |
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| Monoisotopic Molecular Weight | 138.008195224 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic phosphonic acids and derivatives |
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| Sub Class | Organic phosphonic acids |
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| Direct Parent | Organic phosphonic acids |
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| Alternative Parents | |
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| Substituents | - Organophosphonic acid
- Oxacycle
- Organoheterocyclic compound
- Oxirane
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organophosphorus compound
- Organooxygen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Ontology | No ontology term |
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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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| GC-MS | Fosfomycin, 2 TMS, GC-MS Spectrum | splash10-03di-2980000000-005d5b96a1e9219362d0 | Spectrum | | GC-MS | Fosfomycin, non-derivatized, GC-MS Spectrum | splash10-03di-2980000000-005d5b96a1e9219362d0 | Spectrum | | Predicted GC-MS | Fosfomycin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-003r-9100000000-f3dc2512a6ad53fb9238 | Spectrum | | Predicted GC-MS | Fosfomycin, 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, Positive | splash10-000i-1900000000-3025442157ee47184674 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9100000000-275a01dd7f8cc74a7b6f | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9100000000-859fa61894a0825e23d2 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-3900000000-22234a977a4d3da18ecf | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-05qi-9500000000-81b95429a7694bba36c7 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-057i-9000000000-d2dbdb85a43ce508ab14 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-2900000000-3865d3126791b7f8f8f3 | 2021-10-11 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000b-9400000000-d43f705d0ad2bb7e25c9 | 2021-10-11 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06tn-9000000000-5460c55de4fe7bea9b0d | 2021-10-11 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03dr-9400000000-f59b9b60406eacd3c3da | 2021-10-11 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03fr-9000000000-eb71c23b854ab0f65f4a | 2021-10-11 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-9000000000-987956f210941d36e458 | 2021-10-11 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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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 | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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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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