| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2011-09-21 00:14:14 UTC |
|---|
| Update date | 2019-11-26 03:21:03 UTC |
|---|
| Primary ID | FDB022451 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Chemical Information |
|---|
| FooDB Name | Aminomalonic acid |
|---|
| Description | Aminomalonic acid (Ama) was first detected in alkaline hydrolysates of proteins in 1984. Ama has been isolated from proteins of Escherichia coli and human atherosclerotic plaque. The presence of Ama has important biological implications because the malonic acid moiety potentially imparts calcium binding properties to protein. Ama is not formed from any of the 20 major amino acids during the hydrolysis procedure. Furthermore, the amount of Ama found does not depend on the presence of small amounts of O2 during the hydrolysis. No artifactual formation of ama has been demonstrated and may indeed be a constituent of proteins before the hydrolysis procedure. Possible origins of Ama include errors in protein synthesis and oxidative damage to amino acid residues in proteins. (PMID: 1621954, 6366787) [HMDB] |
|---|
| CAS Number | 1068-84-4 |
|---|
| Structure | |
|---|
| Synonyms | |
|---|
| Predicted Properties | |
|---|
| Chemical Formula | C3H5NO4 |
|---|
| IUPAC name | 2-aminopropanedioic acid |
|---|
| InChI Identifier | InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) |
|---|
| InChI Key | JINBYESILADKFW-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | NC(C(O)=O)C(O)=O |
|---|
| Average Molecular Weight | 119.0761 |
|---|
| Monoisotopic Molecular Weight | 119.021857653 |
|---|
| Classification |
|---|
| Description | Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
| Class | Carboxylic acids and derivatives |
|---|
| Sub Class | Amino acids, peptides, and analogues |
|---|
| Direct Parent | Alpha amino acids |
|---|
| Alternative Parents | |
|---|
| Substituents | - Alpha-amino acid
- Dicarboxylic acid or derivatives
- 1,3-dicarbonyl compound
- Amino acid
- Carboxylic acid
- Hydrocarbon derivative
- Organopnictogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Amine
- Organic nitrogen compound
- Organic oxide
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
|
| Disposition | Biological location: Source: |
|---|
| Role | Industrial application: |
|---|
| Physico-Chemical Properties |
|---|
| Physico-Chemical Properties - Experimental | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
| EI-MS/GC-MS | | Type | Description | Splash Key | View |
|---|
| GC-MS | Aminomalonic acid, 2 TMS, GC-MS Spectrum | splash10-001i-2910000000-56ddccdbe51afd85dd6c | Spectrum | | GC-MS | Aminomalonic acid, 3 TMS, GC-MS Spectrum | splash10-0gb9-1790000000-1a2cf2f982d08de4d2c9 | Spectrum | | GC-MS | Aminomalonic acid, non-derivatized, GC-MS Spectrum | splash10-001i-2910000000-56ddccdbe51afd85dd6c | Spectrum | | GC-MS | Aminomalonic acid, non-derivatized, GC-MS Spectrum | splash10-0gb9-1790000000-1a2cf2f982d08de4d2c9 | Spectrum | | GC-MS | Aminomalonic acid, non-derivatized, GC-MS Spectrum | splash10-0012-1920000000-706a1afd4a87657ef924 | Spectrum | | Predicted GC-MS | Aminomalonic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00xu-9200000000-a92a1873b06d13a3cb1b | Spectrum | | Predicted GC-MS | Aminomalonic acid, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-006t-7910000000-820eb39fc624884c77c9 | Spectrum | | Predicted GC-MS | Aminomalonic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
|---|
| MS/MS | | Type | Description | Splash Key | View |
|---|
| MS/MS | LC-MS/MS Spectrum - 20V, Positive | splash10-05i0-9000000000-6da4c50b66acac061cd8 | 2021-09-20 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-081c80e5b8aaa8f7ba34 | 2021-09-20 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - 10V, Positive | splash10-00fr-9000000000-4dbbb4215703aa499e1b | 2021-09-20 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-8900000000-ce915814c1e82c9da3e2 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-9200000000-c4dc8ccb28224391491f | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-056r-9000000000-dda49c2194c794dfeebb | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-2900000000-b31a9403ea30555205e6 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01b9-5900000000-8f53ff3974857296fab8 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-9000000000-179c8f28fed467f08059 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-9200000000-2cbb45bb0d131a8a5a4c | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-9000000000-6bf2575f705bcef140f5 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-1f92eb692a3016f51886 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-3900000000-2c6e9d09fa238ac1618c | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-9400000000-ce7be9ee668d87a767bd | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00dl-9000000000-a28af5b62f46a4285ac2 | 2021-09-25 | View Spectrum |
|
|---|
| NMR | Not Available |
|---|
| External Links |
|---|
| ChemSpider ID | 90998 |
|---|
| ChEMBL ID | Not Available |
|---|
| KEGG Compound ID | C00872 |
|---|
| Pubchem Compound ID | 100714 |
|---|
| Pubchem Substance ID | Not Available |
|---|
| ChEBI ID | 17475 |
|---|
| Phenol-Explorer ID | Not Available |
|---|
| DrugBank ID | DB02289 |
|---|
| HMDB ID | HMDB01147 |
|---|
| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
|---|
| EAFUS ID | Not Available |
|---|
| Dr. Duke ID | Not Available |
|---|
| BIGG ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| HET ID | FGL |
|---|
| Food Biomarker Ontology | Not Available |
|---|
| VMH ID | Not Available |
|---|
| Flavornet ID | Not Available |
|---|
| GoodScent ID | Not Available |
|---|
| SuperScent ID | Not Available |
|---|
| Wikipedia ID | Not Available |
|---|
| Phenol-Explorer Metabolite ID | Not Available |
|---|
| Duplicate IDS | Not Available |
|---|
| Old DFC IDS | Not Available |
|---|
| Associated Foods |
|---|
|
| Biological Effects and Interactions |
|---|
| Health Effects / Bioactivities | Not Available |
|---|
| Enzymes | Not Available |
|---|
| Pathways | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Biosynthesis | Not Available |
|---|
| Organoleptic Properties |
|---|
| Flavours | Not Available |
|---|
| Files |
|---|
| MSDS | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| General Reference | Not Available |
|---|
| Content Reference | |
|---|
