RefMet Compound Details

RefMet IDRM0040848
MW structure38905 (View MW Metabolite Database details)
RefMet nameN-Acetyl-glutamate 5-semialdehyde
Systematic name(2S)-2-acetamido-5-oxopentanoic acid
SMILESCC(=O)N[C@@H](CCC=O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass173.068808 (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
FormulaC7H11NO4View other entries in RefMet with this formula
InChIInChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1
InChIKeyBCPSFKBPHHBDAI-LURJTMIESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID192878
ChEBI ID16319
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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