Cis-4-Hydroxy-L-Proline
PubChem CID: 440015
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | cis-4-Hydroxy-L-proline, 618-27-9, (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid, L-Proline, 4-hydroxy-, (4S)-, (4S)-4-hydroxy-L-proline, cis-4-hydroxyproline, L-allo-hydroxyproline, allo-4-Hydroxyproline, L-cis-4-hydroxyproline, allo-4-Hydroxy-L-proline, Hydroxyproline, cis-, Hydroxyproline cis-form, 4-cis-L-hydroxyproline, cis-Hydroxyproline, H-CIS-HYP-OH, L-Allohydroxyproline, CHEBI:28397, Proline, 4-allo-hydroxy-, L-, allo-hydroxy-L-Proline, 43V78B6A3B, EINECS 210-542-1, CIS-L-4-HYDROXYPROLINE, NSC 206274, 4-hydroxyproline, CHEMBL1233477, L-Proline, allo-hydroxy-, DTXSID20883473, (2S,4S)-4-hydroxy-2-pyrrolidinecarboxylic acid, 4-HYDROXYPROLINE CIS-(-)-, cis-oxyproline, HYDROXYPROLINE CIS-FORM [MI], NSC-206274, cis-4-Hydroxypyrrolidine-2-carboxylic acid, cis-hydroxy-L-proline, rel-(2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acid, cis-L-4-hydroxy-proline, MFCD21608679, 81666-01-5, LHydroxyproline, UNII-43V78B6A3B, MFCD00064320, cis4Hydroxyproline, LAllohydroxyproline, allo4Hydroxyproline, cis4HydroxyLproline, allo4HydroxyLproline, (4s)-hydroxyproline, (2S,4S)-(-)-4-Hydroxy-2-pyrrolidinecarboxylic acid, Hydroxyproline cisform, LProline, allohydroxy, LProline, 4hydroxy, cis, (2S,4S)4Hydroxyproline, Proline, 4allohydroxy, L, L-CIS-HYDROXYPROLINE, SCHEMBL19307, LProline, 4hydroxy, (4S), LProline, 4hydroxy, cis (9CI), DTXCID301023002, Proline, 4allohydroxy, L (8CI), BDBM50357209, AKOS016015787, AC-2250, AC-3101, CS-W009077, FH34725, Proline, 4-allo-hydroxy-, L-(8CI), AS-15085, HY-40136, CS-0526875, H1169, NS00079458, (2S,4S)()4Hydroxy2pyrrolidinecarboxylic acid, EN300-66089, C01015, cis-4-Hydroxy-L-proline, collagen synthesis inhibitor, Q27103674, F8880-8952 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | O[C@@H]CN[C@@H]C5)C=O)O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Cis 4-hydroxyproline, also known as L-allo-hydroxyproline or (2s,4s)-4-hydroxy-2-pyrrolidinecarboxylic acid, belongs to proline and derivatives class of compounds. Those are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Cis 4-hydroxyproline is soluble (in water) and a moderately acidic compound (based on its pKa). Cis 4-hydroxyproline can be found in a number of food items such as green bell pepper, wheat, nanking cherry, and oat, which makes cis 4-hydroxyproline a potential biomarker for the consumption of these food products. |
| Scaffold Graph Node Level | C1CCNC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H9NO3 |
| Scaffold Graph Node Bond Level | C1CCNC1 |
| Inchi Key | PMMYEEVYMWASQN-IMJSIDKUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cis-4-hydroxy-l-proline, l-allohydroxyproline |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CNC, CO |
| Compound Name | Cis-4-Hydroxy-L-Proline |
| Exact Mass | 131.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 131.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 131.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1 |
| Smiles | C1[C@@H](CN[C@@H]1C(=O)O)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Osyris Lanceolata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9780387706375 - 2. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Reference:ISBN:9788171360536