1.0 2016-05-25 02:58:23 UTC 2026-08-25 14:41:04 UTC Pantothenic acid SmallMolecule Pantothenic acid (C9H17NO5) is a compound with an average molecular weight of 219.24 g/mol. Pantothenic acid belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. It targets the protein pantothenate kinase (coaA). In industrial contexts, the compound is utilized as an anti-static agent, as well as a softener and conditioner, while it serves as a nutrient in environmental roles (PMC8839250). The substance is found in or released from 21 recorded sources. These include healthcare, pharmaceuticals, and veterinary products such as vitamins and cicatrizants; food, food processing, and cookware, including molasses and treatment of molasses, food preservation, fermentation processes for beer, and the preparation of vinegar, wine, or sparkling wine. It is also present in household cleaning and consumer products, including perfumes within detergents and soaps, bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and two additional sources. Furthermore, it is found in electrical and electronic equipment, such as amplifiers, electric switches, electrodes, radio transmission systems, electrically stimulated smoking devices, and one other source. Recorded exposure routes for pantothenic acid include oral, intravenous, cutaneous, and topical. Health effects associated with the compound include chest pain, fatigue, and irritability (PMC8839250). (R)-pantothenate C9H17NO5 219.235 219.110672659 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid (+)-pantothenic acid 79-83-4 CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 GHOKWGTUZJEAQD-ZETCQYMHSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Secondary alcohols Carbonyl compounds Carboximidic acids Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organonitrogen compound Organopnictogen compound Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Secondary alcohol Aliphatic acyclic compounds Water-soluble vitamins pantothenic acid Detected and Not Quantified beta-Alanine Metabolism SMP0000007 Pantothenate and CoA Biosynthesis SMP0000027 GABA-Transaminase Deficiency SMP0000351 Carnosinuria, Carnosinemia SMP0000493 GABA-Transaminase Deficiency: beta-alanine SMP0125596 beta-Aminoisobutyric Aciduria SMP0125597 Carnosinuria, Carnosinemia SMP0125598 Pantothenic acid Drug Metabolism Action Pathway SMP0143832 logp -1.4 logp -1.12 ALOGPS logs -0.56 ALOGPS solubility 6.05e+01 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 4.35 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid ChemAxon average_mass 219.235 ChemAxon mono_mass 219.110672659 ChemAxon smiles CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O ChemAxon formula C9H17NO5 ChemAxon inchi InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 ChemAxon inchikey GHOKWGTUZJEAQD-ZETCQYMHSA-N ChemAxon polar_surface_area 106.86 ChemAxon refractivity 51.51 ChemAxon polarizability 21.99 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225f52a00> DB01783 6613 BE0001294