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
Thumb
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)[[email protected]@H](O)C(=O)NCCC([O-])=O.CC(C)(CO)[[email protected]@H](O)C(=O)NCCC([O-])=O
KEGG Compound
C12276
PubChem Compound
443753
ChemSpider
391857
ChEBI
31345
ChEMBL
CHEMBL1901349
Wikipedia
Pantothenic_acid
Predicted Properties
PropertyValueSource
Water Solubility3.93 mg/mLALOGPS
logP-0.21ALOGPS
logP-1.4ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)4.35ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area109.69 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity62.35 m3·mol-1ChemAxon
Polarizability21.34 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon