L-gamma-Glutamyl-S-allylthio-L-cysteine
PubChem CID: 131752387
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| Compound Synonyms | L-gamma-Glutamyl-S-allylthio-L-cysteine, 94504-37-7, 2-amino-5-[[1-carboxy-2-(prop-2-enyldisulfanyl)ethyl]amino]-5-oxopentanoic acid, CHEBI:168042, N-?-Glutamyl-S-(allylthio)cysteine, AKOS040734053, 2-amino-5-[[1-carboxy-2-(prop-2-enyldisulanyl)ethyl]amino]-5-oxopentanoic acid |
|---|---|
| Topological Polar Surface Area | 180.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Description | Constituent of garlic (Allium sativum). N-gamma-Glutamyl-S-(allylthio)cysteine is found in garlic and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[[1-carboxy-2-(prop-2-enyldisulfanyl)ethyl]amino]-5-oxopentanoic acid |
| Nih Violation | True |
| Class | Carboxylic acids and derivatives |
| Xlogp | -2.8 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C11H18N2O5S2 |
| Inchi Key | VTEHWEWRSAXLHY-UHFFFAOYSA-N |
| Rotatable Bond Count | 11.0 |
| State | Solid |
| Synonyms | N-g-Glutamyl-S-(allylthio)cysteine, L-g-Glutamyl-S-allylthio-L-cysteine, L-Γ-glutamyl-S-allylthio-L-cysteine, 2-Amino-4-{[1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoate, 2-Amino-4-{[1-carboxy-2-(prop-2-en-1-yldisulphanyl)ethyl]-C-hydroxycarbonimidoyl}butanoate, 2-Amino-4-{[1-carboxy-2-(prop-2-en-1-yldisulphanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid |
| Compound Name | L-gamma-Glutamyl-S-allylthio-L-cysteine |
| Kingdom | Organic compounds |
| Exact Mass | 322.066 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 322.066 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C11H18N2O5S2/c1-2-5-19-20-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18) |
| Smiles | C=CCSSCC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dipeptides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all