| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-26 07:21:42 UTC |
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| Update Date | 2016-11-09 01:21:28 UTC |
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| Accession Number | CHEM036303 |
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| Identification |
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| Common Name | Alanylglycine |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| ((2-Aminopropanoyl)amino)acetic acid | HMDB | | Ala-gly | HMDB, MeSH | | L-a-Alanylglycine | HMDB | | L-Alanylglycine | HMDB | | L-alpha-Alanylglycine | HMDB | | N-L-Alanyl-glycine | HMDB | | N-L-Alanylglycine | HMDB | | L-Alanine-glycine | MeSH, HMDB | | Alanylglycine, (DL)-isomer | MeSH, HMDB | | Alanylglycine monohydrobromide, (L)-isomer | MeSH, HMDB | | Alanylglycine, (D)-isomer | MeSH, HMDB |
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| Chemical Formula | C5H10N2O3 |
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| Average Molecular Mass | 146.145 g/mol |
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| Monoisotopic Mass | 146.069 g/mol |
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| CAS Registry Number | 687-69-4 |
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| IUPAC Name | 2-(2-aminopropanamido)acetic acid |
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| Traditional Name | (2-aminopropanamido)acetic acid |
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| SMILES | CC(N)C(=O)NCC(O)=O |
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| InChI Identifier | InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9) |
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| InChI Key | CXISPYVYMQWFLE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
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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 | Dipeptides |
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| Alternative Parents | |
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| Substituents | - Alpha-dipeptide
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alanine or derivatives
- Alpha-amino acid or derivatives
- Amino acid or derivatives
- Carboxamide group
- Secondary carboxylic acid amide
- Amino acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Primary aliphatic amine
- Organic nitrogen compound
- Carbonyl group
- Primary amine
- Organic oxygen compound
- Hydrocarbon derivative
- Amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0006-9100000000-26ffe88bee5ad84a50fb | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-006x-9300000000-9e3d09e2fc7eb4f8a94d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-5900000000-8fa075fdba9c7139d887 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9000000000-4d30c875ef57916f7e13 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a6r-9000000000-3d835db294387984e9c1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0900000000-b5286fb050c724bc01d6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00dj-7900000000-192cacfc6784977ccfce | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05fr-9000000000-353a9bff034602637249 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0028687 |
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| FooDB ID | FDB024146 |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 79094 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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