| Record Information |
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| Version | 1.0 |
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| Creation date | 2020-04-03 16:30:04 UTC |
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| Update date | 2020-04-03 16:30:06 UTC |
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| Primary ID | FDB098104 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Cycloserine |
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| Description | Cycloserine, also known as alpha-cycloserine or DCS, belongs to the class of organic compounds known as isoxazolines. Isoxazolines are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms. Thus, cycloserine is considered to be a non-ribosomal peptide/polyketide hybrid. Cycloserine has been detected, but not quantified in, milk (cow). This could make cycloserine a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Cycloserine. |
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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 | C3H6N2O2 |
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| IUPAC name | (4R)-4-amino-1,2-oxazolidin-3-one |
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| InChI Identifier | InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1 |
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| InChI Key | DYDCUQKUCUHJBH-UWTATZPHSA-N |
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| Isomeric SMILES | [H][C@@]1(N)CON=C1O |
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| Average Molecular Weight | 102.0919 |
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| Monoisotopic Molecular Weight | 102.042927446 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as isoxazolines. Isoxazolines are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azolines |
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| Sub Class | Isoxazolines |
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| Direct Parent | Isoxazolines |
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| Alternative Parents | |
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| Substituents | - Isoxazoline
- Oxacycle
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Amine
- 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 | Cycloserine, 2 TMS, GC-MS Spectrum | splash10-0uy0-5900000000-06bce0b228f324fe49b4 | Spectrum | | GC-MS | Cycloserine, non-derivatized, GC-MS Spectrum | splash10-0uy0-5900000000-06bce0b228f324fe49b4 | Spectrum | | Predicted GC-MS | Cycloserine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0006-9000000000-0e7a5a8b0f7ce48e4509 | Spectrum | | Predicted GC-MS | Cycloserine, 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 | splash10-0udi-4900000000-f1c1692f9e6318f52377 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f79-9300000000-45585d9e68724372ca94 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-059f-9000000000-bac95a810bc34e20e690 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-5900000000-5babaf58090cc358ab6e | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0f6x-9300000000-0ff851b2ef4ce71985ff | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0596-9000000000-8a39f19e4a34080991d1 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udl-9800000000-28ac2fbbebd31cc6100b | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9200000000-739f88bc4c62ad6e99a6 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-90726b17dc36e29c5299 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0900000000-940c87bcfe09a2af1fc9 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0w2c-9400000000-13b86532b272b0b5785d | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-a3d694a542f40615fe9e | 2021-09-23 | 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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