RefMet Compound Details

Created with Raphaƫl 2.1.0OHOH
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135409
RefMet nameLutein
Systematic name(1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol
SynonymsPubChem Synonyms
Exact mass568.428031 (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
FormulaC40H56O2View other entries in RefMet with this formula
Molecular descriptors
Molfile28997 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyKBPHJBAIARWVSC-RGZFRNHPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@H](CC1(C)C)O)/C=C/C=C(\C)/C=C/[C@H]1C(=C[C@@H](CC1(C)C)O)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC40 isoprenoids
Distribution of Lutein 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 Lutein
External Links
Pubchem CID5281243
LIPID MAPSLMPR01070274
ChEBI ID28838
KEGG IDC08601
HMDB IDHMDB0003233
EPA CompToxDTXCID70809688
Spectral data for Lutein standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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