RefMet Compound Details

MW structure50624 (View MW Metabolite Database details)
RefMet namePantetheine
Systematic name(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
SMILESCC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass278.130030 (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
FormulaC11H22N2O4SView other entries in RefMet with this formula
InChIKeyZNXZGRMVNNHPCA-VIFPVBQESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID439322
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Pantetheine

Rxn IDKEGG ReactionEnzyme
R02973 Pantetheine + H2O <=> Pantothenate + Cysteamine(R)-pantetheine amidohydrolase
R02971 ATP + Pantetheine <=> ADP + Pantetheine 4'-phosphateATP:pantothenate 4'-phosphotransferase

Table of KEGG human pathways containing Pantetheine

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