Legumin
PubChem CID: 165694
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| Compound Synonyms | Legumin, 8065-16-5, disodium, 4-(4-chloro-2-methylphenoxy)butanoate, 4-(2,4-dichlorophenoxy)butanoate, DTXSID701001387, Sodium 4-(4-chloro-2-methylphenoxy)butanoate 4-(2,4-dichlorophenoxy)butanoate (2/1/1), Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, sodium salt, mixt. with sodium 4-(2,4-dichlorophenoxy)butanoate |
|---|---|
| Topological Polar Surface Area | 98.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | NEKNNCABDXGBEN-UHFFFAOYSA-L |
| Rotatable Bond Count | 8.0 |
| Synonyms | Disodium 4-(2,4-dichlorophenoxy)butanoic acid 4-(4-chloro-2-methylphenoxy)butanoic acid |
| Heavy Atom Count | 32.0 |
| Compound Name | Legumin |
| Kingdom | Organic compounds |
| Description | Legumin can be found in common pea, which makes legumin a potential biomarker for the consumption of this food product. Legumin, or vegetable casein, is a protein substance analogous to the casein of milk, obtained from beans, peas, lentils, vetches, hemp (specifically edestin) and other leguminous seeds. It is a globulin and structurally similar to the 11S globulin family . |
| Exact Mass | 520.02 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 520.02 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 408.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 521.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 4.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | disodium, 4-(4-chloro-2-methylphenoxy)butanoate, 4-(2,4-dichlorophenoxy)butanoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Benzene and substituted derivatives |
| Inchi | InChI=1S/C11H13ClO3.C10H10Cl2O3.2Na/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14, 11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14, , /h4-5,7H,2-3,6H2,1H3,(H,13,14), 3-4,6H,1-2,5H2,(H,13,14), , /q, , 2*+1/p-2 |
| Smiles | CC1=C(C=CC(=C1)Cl)OCCCC(=O)[O-].C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)[O-].[Na+].[Na+] |
| Superclass | Benzenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Halobenzenes |
| Taxonomy Direct Parent | Dichlorobenzenes |
| Molecular Formula | C21H21Cl3Na2O6 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all