trans-S-(1-Propenyl)-L-cysteine
PubChem CID: 87194674
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| Compound Synonyms | trans-S-(1-Propenyl)-L-cysteine, SCHEMBL1066050, CHEBI:179369, L-trans-S-(1-Propenyl)cysteine, 9CI, 2-amino-3-[(Z)-prop-1-enyl]sulanylpropanoic acid |
|---|---|
| Topological Polar Surface Area | 88.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | HYGGRRPFVXHQQW-IHWYPQMZSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2,3-dimethyl-7-methoxy-8-morpholinochromone Hydrochloride, Deoxyalliin |
| Heavy Atom Count | 10.0 |
| Compound Name | trans-S-(1-Propenyl)-L-cysteine |
| Description | Trans-s-(1-propenyl)-l-cysteine 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. Trans-s-(1-propenyl)-l-cysteine is soluble (in water) and a moderately acidic compound (based on its pKa). Trans-s-(1-propenyl)-l-cysteine can be found in onion-family vegetables, which makes trans-s-(1-propenyl)-l-cysteine a potential biomarker for the consumption of this food product. |
| Exact Mass | 161.051 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.051 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 161.22 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-[(Z)-prop-1-enyl]sulfanylpropanoic acid |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2- |
| Smiles | C/C=C\SCC(C(=O)O)N |
| Xlogp | -2.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C6H11NO2S |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all