RefMet Compound Details

RefMet IDRM0013709
MW structure43703 (View MW Metabolite Database details)
RefMet nameCarglumic acid
Systematic name(2S)-2-(carbamoylamino)pentanedioic acid
SMILESC(CC(=O)O)[C@@H](C(=O)O)NC(=O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass190.058973 (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
FormulaC6H10N2O5View other entries in RefMet with this formula
InChIInChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1
InChIKeyLCQLHJZYVOQKHU-VKHMYHEASA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID121396
ChEBI ID71028
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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