| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2015-10-09 22:32:39 UTC |
|---|
| Update date | 2017-01-19 02:36:36 UTC |
|---|
| FoodComEx ID | PC000784 |
|---|
| FoodDB Record | FDB022905 |
|---|
| Chemical Information |
|---|
| Name | L-Homocysteic acid |
|---|
| Description | Short-term incubation of lymphocytes with homocysteine or its oxidation product homocysteinic acid increased the formation of reactive oxygen species and cell necrosis [HMDB] |
|---|
| CAS Number | 14857-77-3 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| (2S)-2-amino-4-Sulfobutanoate | Generator | | (2S)-2-amino-4-Sulfobutanoic acid | Kegg | | (2S)-2-amino-4-Sulphobutanoate | Generator | | (2S)-2-amino-4-Sulphobutanoic acid | Generator | | L-2-Amino-4-sulfobutyrate | hmdb | | L-2-Amino-4-sulfobutyric acid | hmdb | | L-Homocysteate | hmdb |
|
|---|
| Chemical Formula | C4H9NO5S |
|---|
| IUPAC name | (2S)-2-amino-4-sulfobutanoic acid |
|---|
| InChI Identifier | InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1 |
|---|
| InChI Key | VBOQYPQEPHKASR-VKHMYHEASA-N |
|---|
| Isomeric SMILES | N[C@@H](CCS(O)(=O)=O)C(O)=O |
|---|
| Average Molecular Weight | 183.183 |
|---|
| Monoisotopic Molecular Weight | 183.020143093 |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
| Class | Carboxylic acids and derivatives |
|---|
| Sub Class | Amino acids, peptides, and analogues |
|---|
| Direct Parent | L-alpha-amino acids |
|---|
| Alternative Parents | |
|---|
| Substituents | - L-alpha-amino acid
- Thia fatty acid
- Fatty acid
- Fatty acyl
- Organic sulfonic acid or derivatives
- Organosulfonic acid or derivatives
- Organosulfonic acid
- Sulfonyl
- Alkanesulfonic acid
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Primary aliphatic amine
- Organic nitrogen compound
- Carbonyl group
- Amine
- Primary amine
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Melting Point | Not Available | |
|---|
|
| Foods of Origin |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | Production upon request, up to 50 mg |
|---|
| Delivery Time | Not Available |
|---|
| Storage Form | solid |
|---|
| Storage Conditions | -80°C |
|---|
| Stability | Not Available |
|---|
| Purity | Not Available |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
|
| Commercial Vendors |
|---|
| Not Available |
