RefMet Compound Details

MW structure49832 (View MW Metabolite Database details)
RefMet namePantothenic acid
Systematic name3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionic acid
SMILESCC(C)(CO)[C@H](C(=O)NCCC(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass219.110674 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC9H17NO5View other entries in RefMet with this formula
InChIKeyGHOKWGTUZJEAQD-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID6613
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Pantothenic acid

Rxn IDKEGG ReactionEnzyme
R03018 ATP + Pantothenate <=> ADP + D-4'-PhosphopantothenateATP:pantothenate 4'-phosphotransferase
R02973 Pantetheine + H2O <=> Pantothenate + Cysteamine(R)-pantetheine amidohydrolase

Table of KEGG human pathways containing Pantothenic acid

Pathway IDHuman Pathway# of reactions
hsa00770 Pantothenate and CoA biosynthesis 2