RefMet Compound Details

RefMet IDRM0012553
MW structure37362 (View MW Metabolite Database details)
RefMet nameIsovalerylglycine   Species distribution   Sample source distribution
Systematic name2-(3-methylbutanamido)acetic acid
SMILESCC(C)CC(=O)NCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass159.089544 (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
FormulaC7H13NO3View other entries in RefMet with this formula
InChIInChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyZRQXMKMBBMNNQC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID546304
ChEBI ID70984
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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