Ethiin
PubChem CID: 487523
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ethiin, Alanine, 3-(ethylsulfinyl)-, 3-(Ethylsulfinyl)alanine, 9CI, SCHEMBL12086544, CHEBI:165858, 2-amino-3-ethylsulinylpropanoic acid, AKOS014777944, 2-amino-3-ethylsulfinyl-propanoic acid, 2-amino-3-(ethanesulfinyl)propanoic acid |
|---|---|
| Topological Polar Surface Area | 99.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Description | Constituent of numerous Allium subspecies Ethiin is found in many foods, some of which are sour cherry, wax gourd, arrowroot, and silver linden. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-ethylsulfinylpropanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -4.0 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C5H11NO3S |
| Inchi Key | CSZTZFUEOCFFJH-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 3-(Ethylsulfinyl)-L-alanine, 3-(Ethylsulfinyl)alanine, 9CI, Ethiin, L-Alanine, 3-(ethylsulfinyl)-, S-Ethylcysteine sulfoxide |
| Substituent Name | Alpha-amino acid, Sulfoxide, Sulfinyl compound, Monocarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Primary amine, Organosulfur compound, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Compound Name | Ethiin |
| Kingdom | Organic compounds |
| Exact Mass | 165.046 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 165.046 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 165.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C5H11NO3S/c1-2-10(9)3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) |
| Smiles | CCS(=O)CC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all