N-gamma-Glutamyl-S-(1-propenyl)cysteine
PubChem CID: 25245846
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| Compound Synonyms | N-gamma-Glutamyl-S-(1-propenyl)cysteine, CHEBI:174077, N-g-Glutamyl-S-(1-propenyl)cysteine, 2-amino-4-({1-carboxy-2-[(1E)-prop-1-en-1-ylsulfanyl]ethyl}carbamoyl)butanoic acid, 2-amino-5-[[1-carboxy-2-[(E)-prop-1-enyl]sulanylethyl]amino]-5-oxopentanoic acid |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Description | Constituent of Allium subspecies N-gamma-Glutamyl-S-cis-(1-propenyl)cysteine is found in soft-necked garlic and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| 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-[(E)-prop-1-enyl]sulfanylethyl]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 | MUFSTXJBHAEIBT-GORDUTHDSA-N |
| Fcsp3 | 0.5454545454545454 |
| Rotatable Bond Count | 9.0 |
| Synonyms | N-g-Glutamyl-S-(1-propenyl)cysteine, N-gamma-Glutamyl-S-cis-(1-propenyl)cysteine, N-Γ-glutamyl-S-(1-propenyl)cysteine, 2-Amino-4-({1-carboxy-2-[(1E)-prop-1-en-1-ylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoate, 2-Amino-4-({1-carboxy-2-[(1E)-prop-1-en-1-ylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)butanoate, 2-Amino-4-({1-carboxy-2-[(1E)-prop-1-en-1-ylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid, N-g-Glutamyl-S-cis-(1-propenyl)cysteine, N-Γ-glutamyl-S-cis-(1-propenyl)cysteine |
| Compound Name | N-gamma-Glutamyl-S-(1-propenyl)cysteine |
| 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 | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.7586858 |
| Inchi | InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+ |
| Smiles | C/C=C/SCC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 1.0 |
| 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