RefMet Compound Details

RefMet IDRM0159044
MW structure78975 (View MW Metabolite Database details)
RefMet nameSer-Val
Systematic nameL-Seryl-L-valine
SMILESCC(C)[C@@H](C(=O)O)NC(=O)[C@H](CO)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass204.111008 (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
FormulaC8H16N2O4View other entries in RefMet with this formula
InChIInChI=1S/C8H16N2O4/c1-4(2)6(8(13)14)10-7(12)5(9)3-11/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1
InChIKeyILVGMCVCQBJPSH-WDSKDSINSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID7020159
ChEBI ID74823
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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