Chemical Component Summary

NamePANTOATE
Synonyms2,4-DIHYDROXY-3,3-DIMETHYL-BUTYRATE
Identifiers(2R)-2,4-dihydroxy-3,3-dimethyl-butanoate
FormulaC6 H11 O4
Molecular Weight147.149
TypeNON-POLYMER
Isomeric SMILESCC(C)(CO)[C@H](C(=O)[O-])O
InChIInChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)/p-1/t4-/m0/s1
InChIKeyOTOIIPJYVQJATP-BYPYZUCNSA-M

Chemical Details

Formal Charge-1
Atom Count21
Chiral Atom Count1
Bond Count20
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB01930 
Name2,4-Dihydroxy-3,3-Dimethyl-Butyrate
Groups experimental
Synonyms2,4-Dihydroxy-3,3-Dimethyl-Butyrate
CAS number470-29-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Pantothenate synthetaseMTIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLAL...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 5289105
ChEBI CHEBI:15980