You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Bovine Metabolome Database.
Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-09-30 22:19:37 UTC |
---|
Update Date | 2020-05-21 16:29:03 UTC |
---|
BMDB ID | BMDB0000099 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | L-Cystathionine |
---|
Description | L-Cystathionine belongs to the class of organic compounds known as l-cysteine-s-conjugates. L-cysteine-S-conjugates are compounds containing L-cysteine where the thio-group is conjugated. L-Cystathionine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. L-Cystathionine exists in all living species, ranging from bacteria to humans. L-Cystathionine is a potentially toxic compound. L-Cystathionine has been found to be associated with several diseases known as autism, alzheimer's disease, eosinophilic esophagitis, and crohn's disease; also l-cystathionine has been linked to the inborn metabolic disorders including vitamin B12 deficiency. |
---|
Structure | |
---|
Synonyms | Value | Source |
---|
(R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine | ChEBI | L-(+)-Cystathionine | ChEBI | S-(beta-Amino-beta-carboxyethyl)homocysteine | ChEBI | S-(b-Amino-b-carboxyethyl)homocysteine | Generator | S-(Β-amino-β-carboxyethyl)homocysteine | Generator | Cystathionine | HMDB | S-[(2R)-2-Amino-2-carboxyethyl]-L-homocysteine | HMDB | [R-(R*,s*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-butanoate | HMDB | [R-(R*,s*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-butanoic acid | HMDB |
|
---|
Chemical Formula | C7H14N2O4S |
---|
Average Molecular Weight | 222.262 |
---|
Monoisotopic Molecular Weight | 222.067427636 |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | 56-88-2 |
---|
SMILES | Not Available |
---|
InChI Identifier | InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 |
---|
InChI Key | ILRYLPWNYFXEMH-WHFBIAKZSA-N |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as l-cysteine-s-conjugates. L-cysteine-S-conjugates are compounds containing L-cysteine where the thio-group is conjugated. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Carboxylic acids and derivatives |
---|
Sub Class | Amino acids, peptides, and analogues |
---|
Direct Parent | L-cysteine-S-conjugates |
---|
Alternative Parents | |
---|
Substituents | - L-cysteine-s-conjugate
- Alpha-amino acid
- L-alpha-amino acid
- Thia fatty acid
- Dicarboxylic acid or derivatives
- Fatty acyl
- Fatty acid
- Amino acid
- Carboxylic acid
- Thioether
- Dialkylthioether
- Sulfenyl compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Primary amine
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Status | Detected but not Quantified |
---|
Origin | |
---|
Biofunction | Not Available |
---|
Application | Not Available |
---|
Cellular locations | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | 312 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 22 mg/mL | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | Not Available |
---|
Spectra |
---|
Spectra | |
---|
Biological Properties |
---|
Cellular Locations | |
---|
Biospecimen Locations | - Brain
- Kidney
- Liver
- Milk
- Prostate Tissue
|
---|
Pathways | |
---|
Normal Concentrations |
---|
| |
Brain | 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 | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Prostate Tissue | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
|
---|
Abnormal Concentrations |
---|
| Not Available |
---|
External Links |
---|
HMDB ID | HMDB0000099 |
---|
DrugBank ID | Not Available |
---|
Phenol Explorer Compound ID | Not Available |
---|
FooDB ID | FDB001976 |
---|
KNApSAcK ID | C00007498 |
---|
Chemspider ID | 388392 |
---|
KEGG Compound ID | C02291 |
---|
BioCyc ID | L-CYSTATHIONINE |
---|
BiGG ID | 39523 |
---|
Wikipedia Link | Cystathionine |
---|
METLIN ID | 39 |
---|
PubChem Compound | 439258 |
---|
PDB ID | Not Available |
---|
ChEBI ID | 17482 |
---|
References |
---|
Synthesis Reference | Yamagata, Shuzo; Akamatsu, Tsuyoshi; Iwama, Tomonori. Immobilization of Saccharomyces cerevisiae cystathionine gamma-lyase and application of the product to cystathionine synthesis. Applied and Environmental Microbiology (2004), 70(6), 3766-3768. |
---|
Material Safety Data Sheet (MSDS) | Not Available |
---|
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 ]
- Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. [PubMed:29291809 ]
|
---|