PAU

PANTOTHENOIC ACID

Created:2004-03-26
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count1
Bond Count31
Aromatic Bond Count0
2D diagram of PAU
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Chemical Component Summary

NamePANTOTHENOIC ACID
SynonymsN-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE
Systematic Name (OpenEye OEToolkits)3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid
FormulaC9 H17 N O5
Molecular Weight219.235
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCCC(=O)O)C(O)C(C)(C)CO
SMILESCACTVS3.370CC(C)(CO)[CH](O)C(=O)NCCC(O)=O
SMILESOpenEye OEToolkits1.7.2CC(C)(CO)C(C(=O)NCCC(=O)O)O
Canonical SMILESCACTVS3.370 CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O
Canonical SMILESOpenEye OEToolkits1.7.2 CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O
InChIInChI1.03 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
InChIKeyInChI1.03 GHOKWGTUZJEAQD-ZETCQYMHSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB01783 
NamePantothenic acid
Groups
  • approved
  • vet_approved
  • nutraceutical
DescriptionPantothenic 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.
Synonyms
  • Pantothenate
  • Vitamin B5
  • Calcium pantothenate
  • (+)-Pantothenic acid
  • Pantothenic acid
Brand Names
  • Multi-force for Women Tab
  • B Virol
  • PNV Ferrous Fumarate Docusate Folic Acid
  • Lipo-B-C Tab
  • Lipovitan
IndicationStudied for the treatment of many uses such as treatment of testicular torsion, diabetic ulceration, wound healing, acne, obesity, diabetic peripheral polyneuropathy. It has also been investigated for its hypolipidemic effects and as cholesterol lowering agent.
Categories
  • Alanine
  • Alimentary Tract and Metabolism
  • Amino Acids
  • Amino Acids, Peptides, and Proteins
  • Blood Coagulation Factors
ATC-Code
  • D03AX04
  • A11HA31
CAS number79-83-4

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Pantothenate kinaseMSIKEQTLMTPYLQFDRNQWAALRDSVPMTLSEDEIARLKGINEDLSLEE...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6613
ChEMBL CHEMBL1594
ChEBI CHEBI:46905
CCDC/CSD BACWUX10, DPANCA