Calmodulin
PubChem CID: 25244460
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| Compound Synonyms | Calmodulin, Ca2+/calmodulin, calcium-calmodulin, Ca2+/CaM, Calcium Dependent Regulator, Calcium-Dependent Regulator, Regulator, Calcium Dependent, Regulator, Calcium-Dependent, SCHEMBL18105654, CHEBI:176719, DTXSID801045936, Phosphodiesterase Activating Factor, Phosphodiesterase Activator Protein, Phosphodiesterase Protein Activator, Calcium Dependent Activator Protein, Calcium-Dependent Activator Protein, Activating Factor, Phosphodiesterase, Activator Protein, Phosphodiesterase, Activator, Phosphodiesterase Protein, Factor, Phosphodiesterase Activating, Protein Activator, Phosphodiesterase, Protein, Phosphodiesterase Activator, (2S)-6-amino-2-ormamidohexanamide, Activator Protein, Calcium-Dependent, Protein, Calcium-Dependent Activator, (2S)-6-Amino-2-[(E)-(hydroxymethylene)amino]hexanimidic acid, Apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)] |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 98.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | NCCCC[C@@H]C=N)O))N=CO |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Carboximidic acids and derivatives |
| Description | Apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] is a member of the class of compounds known as carboximidic acids. Carboximidic acids are organic acids with the general formula RC(=N)-OH (R=H, organic group). Apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] is soluble (in water) and a very weakly acidic compound (based on its pKa). Apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] can be found in barley, corn, and spinach, which makes apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Carboximidic acids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-6-amino-2-formamidohexanamide |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H15N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DKPYGQKMNSGPGT-LURJTMIESA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7142857142857143 |
| Rotatable Bond Count | 6.0 |
| Synonyms | Calmodulin l-lysine, calmodulin |
| Esol Class | Very soluble |
| Functional Groups | CC(=N)O, CN, CN=CO |
| Compound Name | Calmodulin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 173.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 173.116 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 173.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | 1.3183608 |
| Inchi | InChI=1S/C7H15N3O2/c8-4-2-1-3-6(7(9)12)10-5-11/h5-6H,1-4,8H2,(H2,9,12)(H,10,11)/t6-/m0/s1 |
| Smiles | C(CCN)C[C@@H](C(=O)N)NC=O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
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