gamma-L-Glutamyl-L-methionine sulfoxide
PubChem CID: 13894653
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| Compound Synonyms | gamma-L-Glutamyl-L-methionine sulfoxide, CHEBI:174787, g-L-Glutamyl-L-methionine sulfoxide, 2-amino-4-[(1-carboxy-3-methanesulfinylpropyl)carbamoyl]butanoic acid, 2-amino-5-[(1-carboxy-3-methylsulinylpropyl)amino]-5-oxopentanoic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Dipeptides |
| Deep Smiles | O=CNCC=O)O))CCS=O)C))))))CCCC=O)O))N |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Isolated from the seeds of mung bean (Vigna radiata) and black gram (Vigna mungo). gamma-L-Glutamyl-L-methionine sulfoxide is found in pulses. |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[(1-carboxy-3-methylsulfinylpropyl)amino]-5-oxopentanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -4.7 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18N2O6S |
| Inchi Key | NEVSWSOSRAOCGK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | g-L-Glutamyl-L-methionine sulfoxide, g-L-Glutamyl-L-methionine sulphoxide, gamma-L-Glutamyl-L-methionine sulphoxide, Γ-L-glutamyl-L-methionine sulfoxide, Γ-L-glutamyl-L-methionine sulphoxide, 2-Amino-4-[(1-carboxy-3-methanesulfinylpropyl)-C-hydroxycarbonimidoyl]butanoate, 2-Amino-4-[(1-carboxy-3-methanesulphinylpropyl)-C-hydroxycarbonimidoyl]butanoate, 2-Amino-4-[(1-carboxy-3-methanesulphinylpropyl)-C-hydroxycarbonimidoyl]butanoic acid, gamma-l-glutamyl-l-methionine sulfoxide |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CNC(C)=O, CS(C)=O |
| Compound Name | gamma-L-Glutamyl-L-methionine sulfoxide |
| Kingdom | Organic compounds |
| Exact Mass | 294.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.089 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 294.33 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18N2O6S/c1-19(18)5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17) |
| Smiles | CS(=O)CCC(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 | False |
| Taxonomy Direct Parent | Dipeptides |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729