Tricholomic acid
PubChem CID: 441456
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| Compound Synonyms | Tricholomic acid, CHEBI:9690, CHEMBL260328, alpha-Amino-3-oxo-5-isoxazolidineacetic acid, (2S)-2-amino-2-[(5S)-3-oxo-1,2-oxazolidin-5-yl]acetic acid, (2S)-amino[(5S)-3-oxoisoxazolidin-5-yl]acetic acid, 2644-49-7, amino-(3'-hydroxy-4',5'-dihydroisoxazol-5'-yl)acetic acid, DTXSID80949327, BDBM50373180, C08298, Q27108469, rel-(alphaR,5R)-I+/--Amino-3-oxo-5-isoxazolidineacetic acid |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q9R1M7, P19490, P19491, P19492, P19493, P22756, P31421, P42260, P23385, P31423 |
| Iupac Name | (2S)-2-amino-2-[(5S)-3-oxo-1,2-oxazolidin-5-yl]acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | -4.2 |
| Molecular Formula | C5H8N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NTHMUJMQOXQYBR-OKKQSCSOSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.055 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.62 |
| Compound Name | Tricholomic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 160.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.048 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 160.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.5987002000000001 |
| Inchi | InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)/t2-,4-/m0/s1 |
| Smiles | C1[C@H](ONC1=O)[C@@H](C(=O)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Tetragona (Plant) Rel Props:Source_db:npass_chem_all