| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-05-06 19:45:49 UTC |
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| Update Date | 2020-05-07 14:45:22 UTC |
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| BMDB ID | BMDB0109756 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | DL-Threo-beta-Hydroxyaspartic acid |
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| Description | 3-hydroxyaspartic acid, also known as 3-aminomalic acid or 3-aminomalate, belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a significant number of articles have been published on 3-hydroxyaspartic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3-Aminomalic acid | ChEBI | | beta-Hydroxyaspartic acid | ChEBI | | 3-Aminomalate | Generator | | b-Hydroxyaspartate | Generator | | b-Hydroxyaspartic acid | Generator | | beta-Hydroxyaspartate | Generator | | Β-hydroxyaspartate | Generator | | Β-hydroxyaspartic acid | Generator | | 3-Hydroxyaspartate | Generator | | 3-Hydroxyaspartic acid, (erythro)-isomer | MeSH, HMDB | | 3-Hydroxyaspartic acid, (erythro-D)-isomer | MeSH, HMDB | | 3-Hydroxyaspartic acid, (erythro-DL)-isomer | MeSH, HMDB | | 3-Hydroxyaspartic acid, (erythro-L)-isomer | MeSH, HMDB | | 3-Hydroxyaspartic acid, (threo-DL)-isomer | MeSH, HMDB | | 3-Hydroxyaspartic acid, (threo-L)-isomer | MeSH, HMDB | | DL-threo-3-Hydroxyaspartic acid | MeSH, HMDB | | L-erythro-3-Hydroxyaspartate | MeSH, HMDB | | L-threo-beta-Hydroxyaspartic acid | MeSH, HMDB | | erythro-beta-Hydroxyaspartic acid | MeSH, HMDB | | threo-THA | MeSH, HMDB | | threo-beta-Aspartate | MeSH, HMDB | | threo-Hydroxyaspartic acid | MeSH, HMDB | | 3-Hydroxy-L-aspartate | Generator |
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| Chemical Formula | C4H7NO5 |
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| Average Molecular Weight | 149.102 |
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| Monoisotopic Molecular Weight | 149.032422329 |
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| IUPAC Name | 2-amino-3-hydroxybutanedioic acid |
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| Traditional Name | β-hydroxyaspartic acid |
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| CAS Registry Number | Not Available |
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| SMILES | NC(C(O)C(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10) |
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| InChI Key | YYLQUHNPNCGKJQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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 | Aspartic acid and derivatives |
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| Alternative Parents | |
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| Substituents | - Aspartic acid or derivatives
- Alpha-amino acid
- Beta-hydroxy acid
- Short-chain hydroxy acid
- Alpha-hydroxy acid
- Dicarboxylic acid or derivatives
- Fatty acid
- Hydroxy acid
- Monosaccharide
- Amino acid
- Secondary alcohol
- Carboxylic acid
- Alcohol
- Organonitrogen compound
- Organooxygen compound
- Primary aliphatic amine
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Amine
- Organic oxygen compound
- Organic nitrogen 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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| Status | Detected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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