RefMet Compound Details

RefMet IDRM0129951
MW structure78831 (View MW Metabolite Database details)
RefMet nameHis-Ser
Systematic nameL-Histidyl-L-serine
SMILESC(c1c[nH]cn1)[C@@H](C(=O)N[C@@H](CO)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass242.101506 (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
FormulaC9H14N4O4View other entries in RefMet with this formula
InChIInChI=1S/C9H14N4O4/c10-6(1-5-2-11-4-12-5)8(15)13-7(3-14)9(16)17/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)/t6-,7-/m0/s1
InChIKeyKRBMQYPTDYSENE-BQBZGAKWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID6992830
ChEBI ID74056
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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