{"Abbreviation":["vitamin B5"],"Aliases":["Pantothenic acid","Pantothenic Acid, Racemic","( inverted exclamation markA)-Pantothenic acid","N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-β-alanine","β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-","pantothenate;(+/-)-vitamin B5","pantothensaure","(A+/-)-Pantothenic acid","orb1941189","Rotenone;(R)-3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoic acid","HY-B0430B","STL453482","1113-70-8","DA-48601","CS-0103035","Q179894","(1)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine","5482E43e-7047-44e0-a595-b7f3533cc058","N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine","3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid","3-(2,4-Dihydroxy-3,3-dimethylbutyramido)propionic acid","β-Alanine, n-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-"],"CAS":"599-54-2","ChEMBL":"CHEMBL2110806","ChemicalClasses":["carboxylic acid"],"Chirality":"racemic","Classes":["Vitamin"],"EINECS":"209-965-4","Erowid Experience Reports":null,"Esters":[],"European Community (EC) Number":"209-965-4","Formating":[],"HMDB ID":"HMDB0250782","HeavyAtomCount":15,"IUPACName":"3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid","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)","InChIKey":"GHOKWGTUZJEAQD-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e9\u003c/sub\u003eH\u003csub\u003e17\u003c/sub\u003eNO\u003csub\u003e5\u003c/sub\u003e","MolecularWeight":"219.23 g/mol","Opticalactivity":"( + / - )","PubChemId":988,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Pantothenic acid","Name":"Pantothenic acid","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/988","Name":"Pantothenic acid","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2110806","Name":"Pantothenic acid","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=599-54-2","Name":"Pantothenic acid","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0250782","Name":"Pantothenic acid","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/66Y94D1203","Name":"Pantothenic acid","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047229","Name":"Pantothenic acid","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 988, Pantothenic acid. Accessed August 14, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/988\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/988\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Pantothenic acid. UNII: 66Y94D1203. Global Substance Registration System. Accessed August 14, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/66Y94D1203\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/66Y94D1203\u003c/a\u003e"],"SMILES":"CC(C)(CO)C(C(=O)NCCC(=O)O)O","SaltData":[],"Salts":[],"StereoisomerData":[{"Aliases":null,"PubChemId":null,"SMILES":"CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O","Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 80.242 112.842\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#ff0d0d\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h81v113H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m44.91 84.255 15.008 2.646M59.918 86.901l-5.212 14.321M59.918 86.901l13.199 7.62M73.117 94.521v11.319M59.918 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