Lenthionine
PubChem CID: 67521
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| Compound Synonyms | Lenthionine, 1,2,3,5,6-Pentathiepane, 292-46-6, Lenthionin, UNII-71G9U1CIRD, 71G9U1CIRD, 1,2,3,5,6-Pentathiacycloheptane, LENTHIONINE [MI], NSC-291119, CHEBI:6408, DTXSID20183460, NSC 291119, 1,2,3,5,6-Pentasulfur-cycloheptane, MFCD03840531, 1,3,5,6-Pentathiepane, [1,2,3,5,6]pentathiepane, SCHEMBL2675229, CHEMBL4288485, DTXCID30105951, BCP19093, NSC291119, AKOS006276442, FP66538, AS-33132, CS-0186285, NS00121213, C08382, Q3181449 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Description | Constituent of the edible mushroom Shiitake (Lentinus edodes), responsible for its characteristic odourand is also a volatile production of cooked muttonand is also isolated from petai (Parkia speciosa). Lenthionine is found in mushrooms, animal foods, and green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 39.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1,2,3,5,6-pentathiepane |
| Prediction Hob | 1.0 |
| Class | Organic trisulfides |
| Xlogp | 2.0 |
| Superclass | Organosulfur compounds |
| Molecular Formula | C2H4S5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZKOKXZNCDGVRY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.422 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 1.375 |
| Synonyms | 1,2,3,5,6-Pentathiacycloheptane, Lenthionin, Lenthionine, 1,2,3,5,6-Pentathiepane |
| Substituent Name | Organic trisulfide, Organic disulfide, Organoheterocyclic compound, Hydrocarbon derivative, Aliphatic heteromonocyclic compound |
| Compound Name | Lenthionine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 187.892 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 187.892 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 188.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -2.2680118 |
| Inchi | InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2 |
| Smiles | C1SSCSSS1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Organic trisulfides |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Solida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cyclamen Persicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Daniellia Oliveri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Physocarpus Opulifolius (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Picea Sitchensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all