S-Allyl-L-cysteine
PubChem CID: 98280
Connections displayed (default: 10).
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| Compound Synonyms | 49621-03-6, 3-(Allylthio)-2-aminopropanoic acid, L-DEOXYALLIIN, Cysteine,S-2-propen-1-yl-, 2-amino-3-prop-2-enylsulfanylpropanoic acid, 2-amino-3-(prop-2-en-1-ylsulfanyl)propanoic acid, S-Allyl-L -cysteine, 1217444-21-7, NSC96449, MFCD00210474, S-Prop-2-en-1-ylcysteine, SCHEMBL119988, CHEMBL1592541, DTXSID50865000, AKOS000184556, AKOS022185125, NCGC00095288-01, NCGC00095288-02, SY121473, NS00127168, G72789, EN300-1722717 |
|---|---|
| Topological Polar Surface Area | 88.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Description | Occurs in garlic. Potential nutriceutical. S-Allylcysteine is found in garden onion, soft-necked garlic, and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-prop-2-enylsulfanylpropanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -2.1 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C6H11NO2S |
| Inchi Key | ZFAHNWWNDFHPOH-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | L-Cysteine, S-2-propenyl-, L-deoxyallIIn, S-2-Propenyl-L-cysteine, S-allyl-l -cysteine, S-Allylcysteine, L-DeoxyallIIn, S-Allyl-L -cysteine, Allyl cysteine, 2-Amino-3-(prop-2-en-1-ylsulfanyl)propanoate, 2-Amino-3-(prop-2-en-1-ylsulphanyl)propanoate, 2-Amino-3-(prop-2-en-1-ylsulphanyl)propanoic acid |
| Compound Name | S-Allyl-L-cysteine |
| Kingdom | Organic compounds |
| Exact Mass | 161.051 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 161.051 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 161.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9) |
| Smiles | C=CCSCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cysteine and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all