Bis-gamma-glutamylcystine
PubChem CID: 440072
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| Compound Synonyms | Bis-gamma-glutamylcystine, L-Cysteine, L-gamma-glutamyl-, bimol. (2-->2')-disulfide, 23052-19-9, N-g-Glutamylcystine, L-Cysteine, L-gamma-glutamyl-, (2-2')-disulfide, N,N'-Bis(g-glutamyl)cystine, SCHEMBL4417044, CHEBI:17257, N,N'-Bis(gamma-glutamyl)cystine, g-Glutamylcysteine (2->2')disulfide, 9CI, Q27102287, 5,5'-{disulfanediylbis[(1-carboxyethane-2,1-diyl)imino]}bis(2-amino-5-oxopentanoic acid) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 310.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Dipeptides, Tripeptides |
| Deep Smiles | NCC=O)O))CCC=O)NCC=O)O))CSSCCC=O)O))NC=O)CCCC=O)O))N |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Isolated from chives (Allium schoenoprasum) and from shiitake mushrooms (Lentinus edodes). N,N'-Bis(gamma-glutamyl)cystine is found in mushrooms and onion-family vegetables. |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 650.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[[2-[[2-[(4-amino-4-carboxybutanoyl)amino]-2-carboxyethyl]disulfanyl]-1-carboxyethyl]amino]-5-oxopentanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | False |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -7.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H26N4O10S2 |
| Inchi Key | GOZJYXJJQVGDOJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 17.0 |
| Synonyms | Bis-g-glutamylcystine, Bis-g-L-glutamyl-L-cystine, Bis-gamma-glutamylcystine, Bis-gamma-L-glutamyl-L-cystine, Bis-γ-glutamylcystine, Bis-γ-L-glutamyl-L-cystine, g-Glutamylcysteine (2->2')disulfide, 9CI, Gamma-glu-CYS disulfide, L-Cysteine, L-gamma-glutamyl-, (2-2')-disulfide, N-g-Glutamylcystine, N,N'-Bis(g-glutamyl)cystine, Oxidized g-glutamylcysteine, Oxidized g-L-glutamyl-L-cysteine, Oxidized gamma-glutamylcysteine, Oxidized gamma-L-glutamyl-L-cysteine, Oxidized γ-glutamylcysteine, Oxidized γ-L-glutamyl-L-cysteine, N,N'-bis(g-glutamyl)cystine, N,N'-bis(γ-glutamyl)cystine, g-Glutamylcysteine (2->2')disulfide, 9ci, gamma-Glu-cys disulfide, n,n-bis(gamma-glutamyl)cystine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CNC(C)=O, CSSC |
| Compound Name | Bis-gamma-glutamylcystine |
| Kingdom | Organic compounds |
| Exact Mass | 498.109 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 498.109 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 498.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H26N4O10S2/c17-7(13(23)24)1-3-11(21)19-9(15(27)28)5-31-32-6-10(16(29)30)20-12(22)4-2-8(18)14(25)26/h7-10H,1-6,17-18H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30) |
| Smiles | C(CC(=O)NC(CSSCC(C(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)O)C(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 Allium Schoenoprasum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729