(S)-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid
PubChem CID: 440129
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| Compound Synonyms | 14403-45-3, (S)-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid, L-beta-Imidazolelactic acid, (2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid, L-beta-IMIDAZOLE LACTIC ACID, (S)-3-(imidazol-5-yl)lactic acid, 1H-Imidazole-5-propanoic acid, alpha-hydroxy-, (alphaS)-, CHEBI:16373, (2S)-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid, imidazolelactate, (S)-2-hydroxy-3-(1H-imidazol-4-yl)propanoicacid, L-, A-Imidazolelactic acid, L- beta -Imidazolelactic acid, SCHEMBL1312464, CHEMBL3251663, DTXSID30331470, ACZFBYCNAVEFLC-YFKPBYRVSA-N, AKOS006274356, AKOS015917895, AS-67616, FI148925, 2-Hydroxy-3-(4-Imidazolyl)propanoic acid, DB-344926, CS-0266385, C03817, EN300-1132060, (S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid, Q27101874 |
|---|---|
| Topological Polar Surface Area | 86.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P16453 |
| Iupac Name | (2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C6H8N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACZFBYCNAVEFLC-YFKPBYRVSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | 0.02 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.915 |
| Compound Name | (S)-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.053 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 156.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5054378363636363 |
| Inchi | InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)/t5-/m0/s1 |
| Smiles | C1=C(NC=N1)C[C@@H](C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Oxyphysus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Centaurea Glastifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cuscuta Reflexa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Euphorbia Armena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Galanthus Nivalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Grindelia Havardii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hydrodictyon Reticulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Nephelium Maingayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Plantago Depressa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Polyscias Scutellaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Pyrus Pyraster (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Senecio Candollei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all