RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0118359
RefMet nameAll-trans-retinyl stearate
Systematic name[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] octadecanoate
SynonymsPubChem Synonyms
Exact mass552.490630 (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
FormulaC38H64O2View other entries in RefMet with this formula
Molecular descriptors
Molfile29037 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C38H64O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5
)6/h22,24-25,28-30H,7-21,23,26-27,31-32H2,1-6H3/b25-22+,29-28+,33-24+,34-30+
InChIKeyYNGACJMSLZMZOX-FPFNAQAWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassRetinoids
Distribution of All-trans-retinyl stearate 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 All-trans-retinyl stearate
External Links
Pubchem CID6438398
LIPID MAPSLMPR01090014
ChEBI ID70761
HMDB IDHMDB0257181
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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