RefMet Compound Details

MW structure38741 (View MW Metabolite Database details)
RefMet nameOphthalmic acid
Systematic name(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}butanoic acid
SMILESCC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O
Exact mass289.127387 (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
FormulaC11H19N3O6View other entries in RefMet with this formula
InChIInChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKeyJCMUOFQHZLPHQP-BQBZGAKWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassPeptides
Pubchem CID7018721
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Ophthalmic acid

Rxn IDKEGG ReactionEnzyme
R10994 ATP + gamma-L-Glutamyl-L-2-aminobutyrate + Glycine <=> ADP + Orthophosphate + Ophthalmategamma-L-glutamyl-L-2-aminobutyrate:glycine ligase (ADP-forming)

Table of KEGG human pathways containing Ophthalmic acid

Pathway IDHuman Pathway# of reactions
hsa00270 Cysteine and methionine metabolism 1
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