Cystathionine
PubChem CID: 834
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| 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 |
| Inchi Key | ILRYLPWNYFXEMH-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| 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 |
| 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 |
| Heavy Atom Count | 14.0 |
| Pathway Kegg Map Id | map00260, map00270 |
| Compound Name | Cystathionine |
| Kingdom | Organic compounds |
| 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. |
| Exact Mass | 222.067 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.067 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 222.26 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Enzyme Uniprot Id | P32929 |
| Uniprot Id | P22309 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Carboxylic acids and derivatives |
| 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 |
| Xlogp | -6.0 |
| Superclass | Organic acids and derivatives |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Amino acids, peptides, and analogues |
| Taxonomy Direct Parent | Cysteine and derivatives |
| Molecular Formula | C7H14N2O4S |
- 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