Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-09-30 23:03:28 UTC |
---|
Update Date | 2020-05-21 16:26:51 UTC |
---|
BMDB ID | BMDB0003288 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | Selenocysteine |
---|
Description | Selenocysteine, also known as Selenocysteine, 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. Selenocysteine is possibly soluble (in water) and a very strong basic compound (based on its pKa). Selenocysteine exists in all living species, ranging from bacteria to humans. Selenocysteine participates in a number of enzymatic reactions, within cattle. In particular, Selenocysteine can be converted into L-alanine and hydrogen selenide; which is mediated by the enzyme selenocysteine lyase. In addition, Selenocysteine and 2-ketobutyric acid can be biosynthesized from selenocystathionine; which is mediated by the enzyme cystathionine gamma-lyase. In cattle, selenocysteine is involved in the metabolic pathway called the selenoamino acid metabolism pathway. |
---|
Structure | |
---|
Synonyms | Value | Source |
---|
3-Selenyl-L-alanine | ChEBI | L-Selenocystein | ChEBI | L-Selenozystein | ChEBI | (2R)-2-Amino-3-selanylpropanoate | HMDB | (2R)-2-Amino-3-selanylpropanoic acid | HMDB | 3-Seleno-alanine | HMDB | 3-Selenoalanine | HMDB | L-Selenocysteine | HMDB |
|
---|
Chemical Formula | C3H7NO2Se |
---|
Average Molecular Weight | 168.05 |
---|
Monoisotopic Molecular Weight | 168.964200301 |
---|
IUPAC Name | (2R)-2-amino-3-selanylpropanoic acid |
---|
Traditional Name | L-selenocysteine |
---|
CAS Registry Number | 3614-08-2 |
---|
SMILES | N[C@@H](C[SeH])C(O)=O |
---|
InChI Identifier | InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 |
---|
InChI Key | ZKZBPNGNEQAJSX-REOHCLBHSA-N |
---|
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
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Amine
- Organic oxide
- Hydrocarbon derivative
- Organopnictogen compound
- Selenol
- Primary amine
- Organoselenium compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Primary aliphatic amine
- Organic nitrogen compound
- Carbonyl group
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Status | Expected but not Quantified |
---|
Origin | |
---|
Biofunction | Not Available |
---|
Application | Not Available |
---|
Cellular locations | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-00di-5900000000-827b47dc191649f521ac | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-00di-5900000000-32e999fe6e3d67e322cb | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01b9-0900000000-fadd5a69b2b225d034ac | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01b9-0900000000-8fe6412cebc1ca99fe59 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dl-5900000000-2408222e037ff9db752a | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0900000000-91ba91d891f89ff1fc23 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00kk-6900000000-67c579b8ba30e155bcb3 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-9200000000-0b58b77f13cec3df121d | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0900000000-59cfe0ab1984ab09d7af | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01b9-7900000000-6f634fdb5ee7a8437ca7 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-1900000000-0f58b4784272be073705 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01b9-0900000000-3a288e1fc4c42cfb333c | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05fr-0900000000-c29c42f6924485632ad3 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-2900000000-8f03b287aede9d710058 | View in MoNA |
---|
1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
|
---|