N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine
PubChem CID: 87289205
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| Compound Synonyms | 91216-96-5, gamma-Glutamyl-S-1-propenyl cysteine, N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine, L-Cysteine, L-gamma-glutamyl-S-1-propen-1-yl-, (2S)-2-amino-5-[[(1R)-1-carboxy-2-[(E)-prop-1-enyl]sulfanylethyl]amino]-5-oxopentanoic acid, 134677-41-1, SCHEMBL1767143, SCHEMBL21354143, -Glutamyl-S-1-propenyl cysteine, CHEBI:174078, DTXSID101259550, ??-Glutamyl-S-1-propenyl cysteine, AKOS040740788, MS-24143, HY-111826, CS-0092920, G16685, gamma-l-glutamyl-s-(trans-1-propenyl)-l-cysteine, L-I(3)-Glutamyl-S-(1E)-1-propen-1-yl-L-cysteine, N5-((R)-1-Carboxy-2-(prop-1-en-1-ylthio)ethyl)-L-glutamine, (2S)-2-amino-5-[[(1R)-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 garlic (Allium sativum). N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is found in garlic, 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 | 2.0 |
| Iupac Name | (2S)-2-amino-5-[[(1R)-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-ZASJQLQOSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -1.51 |
| Rotatable Bond Count | 9.0 |
| Logd | -0.52 |
| Synonyms | N-g-Glutamyl-S-trans-(1-propenyl)cysteine, N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine, N-Γ-glutamyl-S-trans-(1-propenyl)cysteine, (2S)-2-Amino-4-{[(1R)-1-carboxy-2-[(1E)-prop-1-en-1-ylsulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoate, (2S)-2-Amino-4-{[(1R)-1-carboxy-2-[(1E)-prop-1-en-1-ylsulphanyl]ethyl]-C-hydroxycarbonimidoyl}butanoate, (2S)-2-Amino-4-{[(1R)-1-carboxy-2-[(1E)-prop-1-en-1-ylsulphanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid |
| Compound Name | N-gamma-Glutamyl-S-trans-(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 | 0.35878580000000015 |
| 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+/t7-,8-/m0/s1 |
| Smiles | C/C=C/SC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| Nring | 0.0 |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all