gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide
PubChem CID: 18410556
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| Compound Synonyms | gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide, CHEBI:168106, Glutamyl-S-(C3H5)-Cysteine sulfoxide, g-Glutamyl-S-(1-propenyl)cysteine sulfoxide, 2-amino-5-[[1-carboxy-2-[(E)-prop-1-enyl]sulinylethyl]amino]-5-oxopentanoic acid |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Description | Constituent of onion (Allium cepa). gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide is found in garden onion, soft-necked garlic, and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[[1-carboxy-2-[(E)-prop-1-enyl]sulfinylethyl]amino]-5-oxopentanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -4.2 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C11H18N2O6S |
| Inchi Key | LMNDKWXDMBGGAL-GORDUTHDSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | g-Glutamyl-S-(1-propenyl)cysteine sulfoxide, g-Glutamyl-S-(1-propenyl)cysteine sulphoxide, gamma-Glutamyl-S-(1-propenyl)cysteine sulphoxide, Γ-glutamyl-S-(1-propenyl)cysteine sulfoxide, Γ-glutamyl-S-(1-propenyl)cysteine sulphoxide, 2-Amino-4-({1-carboxy-2-[(1E)-prop-1-ene-1-sulfinyl]ethyl}-C-hydroxycarbonimidoyl)butanoate, 2-Amino-4-({1-carboxy-2-[(1E)-prop-1-ene-1-sulphinyl]ethyl}-C-hydroxycarbonimidoyl)butanoate, 2-Amino-4-({1-carboxy-2-[(1E)-prop-1-ene-1-sulphinyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid |
| Compound Name | gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide |
| Kingdom | Organic compounds |
| Exact Mass | 306.089 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 306.089 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 306.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C11H18N2O6S/c1-2-5-20(19)6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+ |
| Smiles | C/C=C/S(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Dipeptides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all