| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:11:30 UTC |
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| Update date | 2019-11-26 03:10:49 UTC |
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| Primary ID | FDB014836 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | [Ethylenebis(dithiocarbamato)]manganese |
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| Description | Maneb belongs to the class of organic compounds known as ethylene bisdithiocarbamates. These are dithiocarbamic acids (or derivatives) resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. In addition, compounds containing a 1,2-ethanediyl carbamodithioate moiety are also members of this class. Based on a literature review a significant number of articles have been published on Maneb. |
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| CAS Number | 12427-38-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Not Available | Not Available |
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| Predicted Properties | |
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| Chemical Formula | C4H6MnN2S4 |
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| IUPAC name | manganese(2+) ion ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide |
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| InChI Identifier | InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2 |
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| InChI Key | YKSNLCVSTHTHJA-UHFFFAOYSA-L |
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| Isomeric SMILES | [Mn++].[S-]C(=S)NCCNC([S-])=S |
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| Average Molecular Weight | 265.302 |
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| Monoisotopic Molecular Weight | 264.879430598 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as ethylene bisdithiocarbamates. These are dithiocarbamic acids (or derivatives) resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. In addition, compounds containing a 1,2-ethanediyl carbamodithioate moiety are also members of this class. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Dithiocarbamic acids and derivatives |
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| Sub Class | Dithiocarbamic acid esters |
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| Direct Parent | Ethylene bisdithiocarbamates |
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| Alternative Parents | |
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| Substituents | - Ethylene bisdithiocarbamate
- Metallobisdithiocarbamate
- Organic transition metal salt
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organic salt
- Organosulfur compound
- Organonitrogen compound
- 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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| Ontology | No ontology term |
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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 | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | C 18.11%; H 2.28%; Mn 20.71%; N 10.56%; S 48.35% | DFC |
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| Melting Point | Mp 131° (dec.) | DFC |
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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 | Not Available |
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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 | splash10-014i-0970000000-bd04192fb9297a02e9f6 | 2019-02-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-2910000000-87155ca8228855dbb478 | 2019-02-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f89-8900000000-aa41ffdc6ce1ec6e6a67 | 2019-02-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0900000000-e438dbb8fe34bc162299 | 2019-02-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0900000000-7687befd4089949ee9ee | 2019-02-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05nf-9200000000-c1de1ffd0dcea15a2820 | 2019-02-23 | 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 | C15231 |
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| Pubchem Compound ID | 3032581 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 52497 |
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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 | JWP20-T:JWP20-T |
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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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| 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 | | Descriptor | ID | Definition | Reference |
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| neurotoxic | 50910 | A poison that interferes with the functions of the nervous system. | CHEBI |
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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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