Cystathionine
PubChem CID: 834
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | cystathionine, 535-34-2, DL-Cystathionine, D,L-Cystathionine, DL-Allocystathionine, cystathione, S-(2-amino-2-carboxyethyl)homocysteine, dl,dl-Allo-cystathionine, CHEBI:17755, 2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid, 2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid, Homocysteine, S-(2-amino-2-carboxyethyl)-, Cystathionine, DL-, cystathionin, S-(2-Amino-2-carboxyethyl)-homocysteine, DL-Allocystathionine, EINECS 208-613-7, dl-Allo-cystathionine, NSC 118379, Homocysteine,S-(2-amino-2-carboxyethyl)-, S-(2-Amino-2-carboxyethyl)-DL-homocysteine, DL-Homocysteine, S-(2-amino-2-carboxyethyl)-, SCHEMBL81860, CHEMBL209241, DTXSID50861587, Cystathionine, >=90% (HPLC), HY-W009749A, MFCD00136759, NSC118379, AKOS003382514, AKOS017259249, FC20766, NSC-118379, (2-Amino-2-carboxyethyl)homocysteine #, DA-64228, LS-13328, CS-0095484, NS00014572, C00542, EN300-246200, G82415, Q935387, 2-amino-4-(2-amino-2-carboxyethylthio)butanoic acid, 98DC4DA1-F0CA-4AF2-9F85-DFA8C3B39303, 2-Amino-4-((2-amino-2-carboxyethyl)thio)butanoic acid, S-(2-Amino-2-carboxyethyl)homocysteine, DL-Allocystathionine |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Pathway Kegg Map Id | map00260, map00270 |
| Description | Cystathione, also known as dl-cystathionine, belongs to cysteine and derivatives class of compounds. Those are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Cystathione is soluble (in water) and a moderately acidic compound (based on its pKa). Cystathione can be found in corn, which makes cystathione a potential biomarker for the consumption of this food product. Cystathione may be a unique E.coli metabolite. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P32929 |
| Uniprot Id | P22309 |
| Iupac Name | 2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -6.0 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C7H14N2O4S |
| Inchi Key | ILRYLPWNYFXEMH-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Synonyms | (R)-S-(2-amino-2-carboxyethyl)-L-Homocysteine, [R-(R*,s*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-butanoate, [R-(R*,s*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-butanoic acid, Cystathionine, Cystathionine (6CI,7CI), Cystathionine, l-, Cystathionine, L- (8CI), L-(+)-cystathionine, L-Cystathionine, L-Homocysteine, S-((2R)-2-amino-2-carboxyethyl)-, L-Homocysteine, S-(2-amino-2-carboxyethyl)-, (R)-, L-Homocysteine, S-[(2R)-2-amino-2-carboxyethyl]-, L-Homocysteine, S-[(2R)-2-amino-2-carboxyethyl]- (9CI), S-(b-amino-b-Carboxyethyl)homocysteine, S-(beta-amino-beta-carboxyethyl)homocysteine, S-(β-amino-β-carboxyethyl)homocysteine, S-[(2R)-2-amino-2-carboxyethyl]-L-Homocysteine, Cystathione, DL-Cystathionine, 4-Hydroxy-3,9-dimethoxypterocarpan, 4-Hydroxyhomopterocarpin |
| Substituent Name | S-alkyl-l-cysteine, D-alpha-amino acid, Thia fatty acid, Amino fatty acid, Fatty acyl, Fatty acid, Dicarboxylic acid or derivatives, Dialkylthioether, Sulfenyl compound, Thioether, Carboxylic acid, Hydrocarbon derivative, Primary amine, Organosulfur compound, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Compound Name | Cystathionine |
| Kingdom | Organic compounds |
| Exact Mass | 222.067 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 222.067 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 222.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | 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) |
| Smiles | C(CSCC(C(=O)O)N)C(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cysteine and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all