Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:25:39 UTC |
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Update date | 2019-11-26 03:21:07 UTC |
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Primary ID | FDB023168 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | D-Cysteine |
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Description | D-Cysteine, also known as D-cystein or DCY, belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. D-Cysteine exists in all living species, ranging from bacteria to plants to humans. D-Cysteine is found, on average, in the highest concentration within beer. D-Cysteine has also been detected, but not quantified in, several different foods, such as chinese cinnamons (Cinnamomum aromaticum), yellow zucchinis (Cucurbita pepo var. cylindrica), japanese chestnuts (Castanea crenata), hyssops (Hyssopus officinalis), and green zucchinis (Cucurbita pepo var. cylindrica). This could make D-cysteine a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on D-Cysteine. |
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CAS Number | 921-01-7 |
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Structure | |
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Synonyms | Synonym | Source |
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(2S)-2-Amino-3-mercaptopropanoic acid | ChEBI | (2S)-2-Amino-3-sulfanylpropanoic acid | ChEBI | (S)-2-Amino-3-mercaptopropanoic acid | ChEBI | D-Amino-3-mercaptopropionic acid | ChEBI | D-Cystein | ChEBI | D-Zystein | ChEBI | DCY | ChEBI | (2S)-2-Amino-3-mercaptopropanoate | Generator | (2S)-2-Amino-3-sulfanylpropanoate | Generator | (2S)-2-Amino-3-sulphanylpropanoate | Generator | (2S)-2-Amino-3-sulphanylpropanoic acid | Generator | (S)-2-Amino-3-mercaptopropanoate | Generator | D-Amino-3-mercaptopropionate | Generator | Cysteine | MeSH, HMDB | Half cystine | MeSH, HMDB | Cysteine hydrochloride | MeSH, HMDB | Half-cystine | MeSH, HMDB | L-Cysteine | MeSH, HMDB | L Cysteine | MeSH, HMDB | Zinc cysteinate | MeSH, HMDB | (2S)-2-amino-3-Mercaptopropanoate | Generator | (2S)-2-amino-3-Mercaptopropanoic acid | ChEBI | (2S)-2-amino-3-Sulfanylpropanoate | Generator | (2S)-2-amino-3-Sulfanylpropanoic acid | ChEBI | (2S)-2-amino-3-Sulphanylpropanoate | Generator | (2S)-2-amino-3-Sulphanylpropanoic acid | Generator | (S)-2-amino-3-Mercaptopropanoate | Generator | (S)-2-amino-3-Mercaptopropanoic acid | ChEBI |
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Predicted Properties | |
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Chemical Formula | C3H7NO2S |
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IUPAC name | (2S)-2-amino-3-sulfanylpropanoic acid |
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InChI Identifier | InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1 |
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InChI Key | XUJNEKJLAYXESH-UWTATZPHSA-N |
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Isomeric SMILES | N[C@H](CS)C(O)=O |
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Average Molecular Weight | 121.15 |
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Monoisotopic Molecular Weight | 121.019749643 |
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Classification |
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Description | Belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine 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 | Cysteine and derivatives |
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Alternative Parents | |
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Substituents | - Cysteine or derivatives
- Alpha-amino acid
- D-alpha-amino acid
- Amino acid
- Alkylthiol
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Primary amine
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Amine
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxide
- 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 | Route of exposure: Source: Biological location: |
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Role | Industrial application: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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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 | D-Cysteine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004l-9100000000-4553906a941a5e87ec97 | Spectrum | Predicted GC-MS | D-Cysteine, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004i-9200000000-cfaf705cd0452d428454 | Spectrum | Predicted GC-MS | D-Cysteine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | D-Cysteine, 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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MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated) | splash10-056r-9300000000-ed3d829a54e4ac06325d | 2012-07-25 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated) | splash10-0a4i-9000000000-224425097c9b1883d266 | 2012-07-25 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated) | splash10-0a4i-9000000000-39cb21d5fd8f893ba8fd | 2012-07-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00b9-9600000000-4352a7b437c34c04d9f0 | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-9200000000-7b4cd034c717561c61dd | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9000000000-8f351cbca6ffed356a9b | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-6900000000-51ba0df80cc33423420b | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0079-9400000000-4aa2b707c391d5838d29 | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-95c7672c7836c0fc51c9 | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00e9-8900000000-c05a34dee4bebd8457da | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-9000000000-942ac689538269d6ca7b | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-942ac689538269d6ca7b | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a6r-9200000000-9d710aa92c54b66150d6 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a6r-9000000000-e5d74af54cd557ea9df0 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-f349eed712afbbc2670a | 2021-09-25 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | | Spectrum | 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | | Spectrum |
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External Links |
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ChemSpider ID | 83819 |
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ChEMBL ID | CHEMBL171281 |
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KEGG Compound ID | C00793 |
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Pubchem Compound ID | 92851 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16375 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB03417 |
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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 | C00007323 |
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HET ID | DCY |
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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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Food | Content Range | Average | Reference |
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Food | | | Reference |
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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 | show |
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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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