gamma-Glutamyl-S-methylcysteine sulfoxide
PubChem CID: 13894651
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| Compound Synonyms | gamma-Glutamyl-S-methylcysteine sulfoxide, SCHEMBL20077214, CHEBI:174664, g-Glutamyl-S-methylcysteine sulfoxide, 2-amino-5-[(1-carboxy-2-methylsulinylethyl)amino]-5-oxopentanoic acid |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Description | Present in garlic (Allium sativum). gamma-Glutamyl-S-methylcysteine sulfoxide is found in garlic, soft-necked garlic, and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[(1-carboxy-2-methylsulfinylethyl)amino]-5-oxopentanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -5.0 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C9H16N2O6S |
| Inchi Key | MQEBEBZYRKXMDL-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | g-Glutamyl-S-methylcysteine sulfoxide, g-Glutamyl-S-methylcysteine sulphoxide, gamma-Glutamyl-S-methylcysteine sulphoxide, Γ-glutamyl-S-methylcysteine sulfoxide, Γ-glutamyl-S-methylcysteine sulphoxide, 2-Amino-4-[(1-carboxy-2-methanesulfinylethyl)-C-hydroxycarbonimidoyl]butanoate, 2-Amino-4-[(1-carboxy-2-methanesulphinylethyl)-C-hydroxycarbonimidoyl]butanoate, 2-Amino-4-[(1-carboxy-2-methanesulphinylethyl)-C-hydroxycarbonimidoyl]butanoic acid |
| Compound Name | gamma-Glutamyl-S-methylcysteine sulfoxide |
| Kingdom | Organic compounds |
| Exact Mass | 280.073 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 280.073 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 280.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C9H16N2O6S/c1-18(17)4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16) |
| Smiles | CS(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | N-acyl-alpha amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all