RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0129741
RefMet nameVal-Trp
Systematic nameL-Valyl-L-tryptophan
SynonymsPubChem Synonyms
Exact mass303.158292 (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
FormulaC16H21N3O3View other entries in RefMet with this formula
Molecular descriptors
Molfile79053 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21
,22)/t13-,14-/m0/s1
InChIKeyLZDNBBYBDGBADK-KBPBESRZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Distribution of Val-Trp 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 Val-Trp
External Links
Pubchem CID168182
ChEBI ID92809
HMDB IDHMDB0029138
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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