N-gamma-Glutamyl-S-allylcysteine
PubChem CID: 11193907
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| Compound Synonyms | N-gamma-Glutamyl-S-allylcysteine, Glutamyl-S-allylcysteine, N-g-Glutamyl-S-allylcysteine, SCHEMBL1157665, CHEBI:168646, 2-amino-5-[(1-carboxy-2-prop-2-enylsulanylethyl)amino]-5-oxopentanoic acid, 2-amino-4-{[1-carboxy-2-(prop-2-en-1-ylsulfanyl)ethyl]carbamoyl}butanoic acid |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Description | Isolated from garlic (Allium sativum)and chives (Allium schoenoprasum). N-gamma-Glutamyl-S-allylcysteine is found in many foods, some of which are chives, onion-family vegetables, soft-necked garlic, and garlic. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -2.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C11H18N2O5S |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUTHBNRZCFKVQZ-UHFFFAOYSA-N |
| Fcsp3 | 0.5454545454545454 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Synonyms | N-g-Glutamyl-S-allylcysteine, N-Γ-glutamyl-S-allylcysteine, 2-Amino-4-{[1-carboxy-2-(prop-2-en-1-ylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoate, 2-Amino-4-{[1-carboxy-2-(prop-2-en-1-ylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}butanoate, 2-Amino-4-{[1-carboxy-2-(prop-2-en-1-ylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid, 5,14-Dihydroxy-2,9,26-trimethyl-4,10,22,29-tetraoxo-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-en-16-yl acetic acid, Physalin e acetic acid |
| Compound Name | N-gamma-Glutamyl-S-allylcysteine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.094 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 290.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.8750857999999999 |
| Inchi | InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(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=CCSCC(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:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:fooddb_chem_all