| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-05-07 19:53:24 UTC |
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| Update date | 2019-11-26 03:21:52 UTC |
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| Primary ID | FDB030713 |
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| Secondary Accession Numbers | |
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| Chemical Information |
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| FooDB Name | carbamate |
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| Description | Carbamic acid, also known as carbamate or aminoformic acid, belongs to organic carbonic acids and derivatives class of compounds. Those are compounds comprising the organic carbonic acid or a derivative thereof. Carbamic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Carbamic acid can be found in a number of food items such as purple laver, soy bean, other cereal product, and dock, which makes carbamic acid a potential biomarker for the consumption of these food products. Carbamic acid can be found primarily in human neuron and placenta tissues. Carbamic acid exists in all living organisms, ranging from bacteria to humans. Carbamic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Carbamic acid is the compound with the formula NH2COOH. The attachment of the acid group to a nitrogen or amine (instead of carbon) distinguishes it from carboxylic acid and an amide. Many derivatives and analogues of carbamic acid are known. They are generally unstable, reverting to the parent amine and carbon dioxide. The deprotonated anion (or conjugate base) of this functional group is a carbamate. Carbamic acid is a planar molecule . If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally (T3DB). |
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| CAS Number | 463-77-4 302-11-4 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | CH3NO2 |
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| IUPAC name | carbamic acid |
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| InChI Identifier | InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4) |
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| InChI Key | KXDHJXZQYSOELW-UHFFFAOYSA-N |
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| Isomeric SMILES | NC(O)=O |
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| Average Molecular Weight | 61.04 |
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| Monoisotopic Molecular Weight | 61.016378345 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as organic carbonic acids and derivatives. Organic carbonic acids and derivatives are compounds comprising the organic carbonic acid or a derivative thereof. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic carbonic acids and derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Organic carbonic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Carbonic acid derivative
- Carbamic acid derivative
- Carbamic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- 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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| Physiological effect | Health effect: |
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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 |
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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 | Carbamic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03di-9000000000-d4ec45366294deee461d | Spectrum | | Predicted GC-MS | Carbamic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-9200000000-39800d42e236043754c2 | Spectrum | | Predicted GC-MS | Carbamic acid, 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 | splash10-03di-9000000000-33c2cd9e9f87e70aeee7 | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dl-9000000000-80dc946b5f814bf962fc | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-db68c8dff28932d0bd97 | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03dl-9000000000-54e827d7f4201ae683bf | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03dl-9000000000-3158c8b265d264989bd7 | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-24350f23db0893ec042c | 2015-05-27 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-9000000000-fd9f25340762315b4515 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9000000000-fd9f25340762315b4515 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-fd9f25340762315b4515 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-9000000000-7b9a18058ceeb7cfe64a | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9000000000-c8501e98acf811129533 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-90726b17dc36e29c5299 | 2021-09-25 | 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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