gamma-Glutamyl-s-methylcysteine
PubChem CID: 13894650
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | gamma-glutamyl-s-methylcysteine, Glutamyl-S-methylcysteine, g-Glutamyl-S-methylcysteine, SCHEMBL1157661, CHEBI:168622, 2-amino-4-{[1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}butanoic acid, 2-amino-5-[(1-carboxy-2-methylsulanylethyl)amino]-5-oxopentanoic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Dipeptides |
| Deep Smiles | CSCCC=O)O))NC=O)CCCC=O)O))N |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Constituent of many edible vegetable species. gamma-Glutamyl-S-methylcysteine is found in garden onion, soft-necked garlic, and lima bean. |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)amino]-5-oxopentanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16N2O5S |
| Inchi Key | UPCDLBPYWXOCOK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Synonyms | g-Glutamyl-S-methylcysteine, Γ-glutamyl-S-methylcysteine, gamma-Glu-S-methyl-cys, 2-Amino-4-{[1-carboxy-2-(methylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoate, 2-Amino-4-{[1-carboxy-2-(methylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}butanoate, 2-Amino-4-{[1-carboxy-2-(methylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid, gamma-Glutamyl-S-methylcysteine, gamma glutamyl-gamma-glutamyl-s-methylcysteine, gamma glutamyl-s-methylcysteine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CNC(C)=O, CSC |
| Compound Name | gamma-Glutamyl-s-methylcysteine |
| Kingdom | Organic compounds |
| Exact Mass | 264.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.078 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 264.3 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H16N2O5S/c1-17-4-6(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 | CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dipeptides |
| Np Classifier Superclass | Small peptides |
- 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 - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Reference:ISBN:9788171360536