RefMet Compound Details

RefMet IDRM0022899
MW structure81540 (View MW Metabolite Database details)
RefMet nameGlu-Cys-Cys
Systematic nameL-Glutamyl-L-cysteinyl-L-cysteine
SMILESC(CC(=O)O)[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 mass353.071531 (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
FormulaC11H19N3O6S2View other entries in RefMet with this formula
InChIInChI=1S/C11H19N3O6S2/c12-5(1-2-8(15)16)9(17)13-6(3-21)10(18)14-7(4-22)11(19)20/h5-7,21-22H,1-4,12H2,(H,13,17)(H,14,18)(H,15,16)(H
,19,20)/t5-,6-,7-/m0/s1
InChIKeyMXPBQDFWIMBACQ-ACZMJKKPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID10237010
ChEBI ID73495
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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