RefMet Compound Details

RefMet IDRM0128719
MW structure83257 (View MW Metabolite Database details)
RefMet nameLeu-Leu-Arg
Systematic nameL-Leucyl-L-leucyl-L-arginine
SMILESCC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass400.279804 (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
FormulaC18H36N6O4View other entries in RefMet with this formula
InChIInChI=1S/C18H36N6O4/c1-10(2)8-12(19)15(25)24-14(9-11(3)4)16(26)23-13(17(27)28)6-5-7-22-18(20)21/h10-14H,5-9,19H2,1-4H3,(H,23,26)(H
,24,25)(H,27,28)(H4,20,21,22)/t12-,13-,14-/m0/s1
InChIKeyDSFYPIUSAMSERP-IHRRRGAJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID11200424
ChEBI ID159305
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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