RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0155766
RefMet name8-Amino-7-oxononanoic acid
Systematic name8S-amino-7-oxononanoic acid
SynonymsPubChem Synonyms
Exact mass187.120843 (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
FormulaC9H17NO3View other entries in RefMet with this formula
Molecular descriptors
Molfile146869 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyGUAHPAJOXVYFON-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[C@@H](C(=O)CCCCCC(=O)O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassKeto FA
Distribution of 8-Amino-7-oxononanoic acid 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 8-Amino-7-oxononanoic acid
External Links
Pubchem CID448124
LIPID MAPSLMFA01100065
ChEBI ID149468
KEGG IDC01092
HMDB IDHMDB0240687
Drugbank DBDB02274
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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