RefMet Compound Details

RefMet IDRM0129897
MW structure78830 (View MW Metabolite Database details)
RefMet nameHis-Pro
Systematic nameL-Histidyl-L-proline
SMILESC1C[C@@H](C(=O)O)N(C1)C(=O)[C@H](Cc1c[nH]cn1)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass252.122241 (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
FormulaC11H16N4O3View other entries in RefMet with this formula
InChIInChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1
InChIKeyLNCFUHAPNTYMJB-IUCAKERBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID152322
ChEBI ID74055
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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