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Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:35:50 UTC |
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Update Date | 2020-05-21 16:28:33 UTC |
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BMDB ID | BMDB0000742 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Homocysteine |
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Description | Homocysteine, also known as Hcy or homo-cys, 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). Homocysteine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Homocysteine exists in all living species, ranging from bacteria to humans. Homocysteine is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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Hcy | ChEBI | L-2-Amino-4-mercaptobutyric acid | ChEBI | L-2-Amino-4-mercaptobutyrate | Generator | 2-Amino-4-mercaptobutyric acid | HMDB | Homocysteine, L isomer | HMDB | L-Isomer homocysteine | HMDB | 2 Amino 4 mercaptobutyric acid | HMDB | Homocysteine, L-isomer | HMDB | (S)-2-Amino-4-mercapto-butanoate | HMDB | (S)-2-Amino-4-mercapto-butanoic acid | HMDB | (S)-2-Amino-4-mercaptobutanoic acid | HMDB | (S)-Homocysteine | HMDB | 2-Amino-4-mercapto-DL-butyrate | HMDB | 2-Amino-4-mercapto-DL-butyric acid | HMDB | 2-Amino-4-mercapto-L-butyric acid | HMDB | 2-Amino-4-mercapto-butanoate | HMDB | 2-Amino-4-mercapto-butanoic acid | HMDB | 2-Amino-4-mercapto-butyric acid | HMDB | 2-Amino-4-sulfanylbutanoate | HMDB | 2-Amino-4-sulfanylbutanoic acid | HMDB | D,L-Homocysteine | HMDB | DL-2-Amino-4-mercapto-butyric acid | HMDB | DL-2-Amino-4-mercaptobutyric acid | HMDB | DL-Homocysteine | HMDB | Homo-cys | HMDB | L-2-Amino-4-mercapto-butyric acid | HMDB | L-Homocysteine | HMDB | 2-Amino-4-mercapto-butyrate | HMDB | Homocysteine | MeSH, KEGG |
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Chemical Formula | C4H9NO2S |
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Average Molecular Weight | 135.185 |
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Monoisotopic Molecular Weight | 135.035399227 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 454-29-5 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1 |
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InChI Key | FFFHZYDWPBMWHY-VKHMYHEASA-N |
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Chemical Taxonomy |
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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. |
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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 | L-alpha-amino acids |
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Alternative Parents | |
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Substituents | - L-alpha-amino acid
- Thia fatty acid
- Fatty acid
- Fatty acyl
- Amino acid
- Alkylthiol
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Primary amine
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Amine
- 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 | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 232 - 233 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 148 mg/mL | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | Not Available |
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Spectra |
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Spectra | |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | - Adipose Tissue
- Brain
- Fibroblasts
- Intestine
- Kidney
- Liver
- Milk
- Neuron
- Pancreas
- Placenta
- Platelet
- Skeletal Muscle
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Pathways | |
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Normal Concentrations |
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Adipose Tissue | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Brain | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Fibroblasts | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Intestine | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Kidney | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Neuron | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Pancreas | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Placenta | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Platelet | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Skeletal Muscle | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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Abnormal Concentrations |
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| Not Available |
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External Links |
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HMDB ID | HMDB0000742 |
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DrugBank ID | DB04422 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB001491 |
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KNApSAcK ID | C00001365 |
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Chemspider ID | 82666 |
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KEGG Compound ID | C00155 |
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BioCyc ID | HOMO-CYS |
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BiGG ID | Not Available |
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Wikipedia Link | Homocysteine |
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METLIN ID | 3256 |
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PubChem Compound | 91552 |
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PDB ID | Not Available |
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ChEBI ID | 17588 |
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References |
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Synthesis Reference | Karrenbauer, Michael; Kleemann, Axel; Luessling, Theodor; Schaefer, Fritz. D,L-Homocysteine (I). Ger. (1984), 4 pp. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. [PubMed:29565828 ]
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