RefMet Compound Details

RefMet IDRM0138298
MW structure83940 (View MW Metabolite Database details)
RefMet nameMet-Cys-Cys
Systematic nameL-Methionyl-L-cysteinyl-L-cysteine
SMILESCSCC[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass355.069423 (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
FormulaC11H21N3O4S3View other entries in RefMet with this formula
InChIInChI=1S/C11H21N3O4S3/c1-21-3-2-6(12)9(15)13-7(4-19)10(16)14-8(5-20)11(17)18/h6-8,19-20H,2-5,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)/
t6-,7-,8-/m0/s1
InChIKeyTWTNGJMBFRTKEX-FXQIFTODSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID145456891
ChEBI ID160614
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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