RefMet Compound Details

RefMet IDRM0136031
MW structure37551 (View MW Metabolite Database details)
RefMet nameN-Formylmethionine   Species distribution   Sample source distribution
Systematic name(2R)-2-formamido-4-(methylsulfanyl)butanoic acid
SMILESCSCC[C@H](C(=O)O)NC=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass177.045966 (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
FormulaC6H11NO3SView other entries in RefMet with this formula
InChIInChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1
InChIKeyPYUSHNKNPOHWEZ-RXMQYKEDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID6995182
ChEBI ID16552
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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