1.0 2016-05-22 05:58:22 UTC 2026-05-14 19:07:43 UTC Pantethine SmallMolecule Pantethine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 554.72 g/mol, Pantethine is a heavy molecule. It has the chemical formula C22H42N4O8S2. In industrial applications, Pantethine is utilized as a softener and conditioner. The compound is identified in eight recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is found in vitamins. In the category of food, food processing, and cookware, it is used in food preservation and the preparation of wine or sparkling wine. It is also found in household cleaning and consumer products, specifically within soap detergents, bleaching agents, perfumes within detergents and soaps, and tobacco smoke filters. Additionally, Pantethine is present in indoor air, which is categorized under air, dust, and atmospheric transport. Recorded routes of exposure to the compound include oral and inhalation pathways. D-Pantethine C22H42N4O8S2 554.72 554.244406676 N-(2-{[2-({2-[3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanamido]ethyl}disulfanyl)ethyl]carbamoyl}ethyl)-2,4-dihydroxy-3,3-dimethylbutanamide pantethine 16816-67-4 CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34) DJWYOLJPSHDSAL-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Beta amino acids and derivatives Carbonyl compounds Dialkyldisulfides Hydrocarbon derivatives Monosaccharides N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Sulfenyl compounds Alcohol Aliphatic acyclic compound Beta amino acid or derivatives Carbonyl group Carboxamide group Dialkyldisulfide Fatty acyl Fatty amide Hydrocarbon derivative Monosaccharide N-acyl-amine Organic disulfide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide Sulfenyl compound Aliphatic acyclic compounds Detected and Not Quantified Pantethine Drug Metabolism SMP0130939 Pantethine Drug Metabolism Action Pathway SMP0144623 logp -3.4 logp -0.25 ALOGPS logs -3.67 ALOGPS solubility 1.17e-01 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 12.38 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac N-(2-{[2-({2-[3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanamido]ethyl}disulfanyl)ethyl]carbamoyl}ethyl)-2,4-dihydroxy-3,3-dimethylbutanamide ChemAxon average_mass 554.72 ChemAxon mono_mass 554.244406676 ChemAxon smiles CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO ChemAxon formula C22H42N4O8S2 ChemAxon inchi InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34) ChemAxon inchikey DJWYOLJPSHDSAL-UHFFFAOYSA-N ChemAxon polar_surface_area 197.32 ChemAxon refractivity 139.83 ChemAxon polarizability 59.51 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 8 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224751910> DB11190 4677 4515