Calcium pantothenateProduct ingredient for Pantothenic acid
- Name
- Calcium pantothenate
- Drug Entry
- Pantothenic acid
Pantothenic acid, also called pantothenate or vitamin B5 (a B vitamin), is a water-soluble vitamin discovered by Roger J. Williams in 1919. For many animals, pantothenic acid is an essential nutrient as it is required to synthesize coenzyme-A (CoA), as well as to synthesize and metabolize proteins, carbohydrates, and fats. Pantothenic acid is the amide between pantoic acid and β-alanine and commonly found as its alcohol analog, the provitamin panthenol, and as calcium pantothenate. Small quantities of pantothenic acid are found in nearly every food, with high amounts in whole-grain cereals, legumes, eggs, meat, royal jelly, avocado, and yogurt. Pantothenic acid is an ingredient in some hair and skin care products. Only the dextrorotatory (D) isomer of pantothenic acid possesses biological activity. while the levorotatory (L) form may antagonize the effects of the dextrorotatory isomer.
- Accession Number
- DBSALT000034
- Structure
Structure for Calcium pantothenate (DBSALT000034)
- Synonyms
- Calcii pantothenas / Calcium D-pantothenate / Calcium pantothenate / Pantothenate de calcium
- UNII
- 568ET80C3D
- CAS Number
- 137-08-6
- Weight
- Average: 476.536
Monoisotopic: 476.1682861 - Chemical Formula
- C18H32CaN2O10
- InChI Key
- FAPWYRCQGJNNSJ-UBKPKTQASA-L
- InChI
- InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
- IUPAC Name
- calcium bis(3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate)
- SMILES
- [Ca++].CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O
- External Links
- KEGG Compound
- C12276
- PubChem Compound
- 443753
- ChemSpider
- 391857
- ChEBI
- 31345
- ChEMBL
- CHEMBL1901349
- Wikipedia
- Pantothenic_acid
- Predicted Properties
Property Value Source Water Solubility 3.93 mg/mL ALOGPS logP -0.21 ALOGPS logP -1.4 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 4.35 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 109.69 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 62.35 m3·mol-1 Chemaxon Polarizability 21.34 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon