RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0132200
RefMet nameD-Octopine
Systematic nameN(2)-[(1R)-1-carboxyethyl]-L-arginine
SynonymsPubChem Synonyms
Exact mass246.132806 (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
FormulaC9H18N4O4View other entries in RefMet with this formula
Molecular descriptors
Molfile50268 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1
InChIKeyIMXSCCDUAFEIOE-RITPCOANSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[C@H](C(=O)O)N[C@@H](CCCNC(=N)N)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Distribution of D-Octopine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting D-Octopine
External Links
Pubchem CID108172
ChEBI ID15805
KEGG IDC04137
MetaCyc IDCPD-309
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo