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](O)C(=O)NCCC(O)=O
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
InChIInChI=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
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)
Human quantitationView measurements in targeted assays on human samples

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
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