L-Lysopine
PubChem CID: 3325403
Connections displayed (default: 10).
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| Compound Synonyms | L-Lysopine, SCHEMBL787393, CHEBI:178679, 6-amino-2-(1-carboxyethylamino)hexanoic acid |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 15.0 |
| Description | Isolated from crown gall tumours of various plants including tomato, jerusalem artichoke and salsify. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-amino-2-(1-carboxyethylamino)hexanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -5.0 |
| Molecular Formula | C9H18N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZZYYVZYAZCMNPG-UHFFFAOYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -1.191 |
| Rotatable Bond Count | 8.0 |
| Logd | -1.024 |
| Compound Name | L-Lysopine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.127 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 218.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.4911314000000004 |
| Inchi | InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15) |
| Smiles | CC(C(=O)O)NC(CCCCN)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gardenia Gummifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helianthus Pumilus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lysionotus Pauciflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ocimum Americanum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Parthenocissus Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients