RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135396
RefMet nameDihydroxylycopene
Systematic name(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene-2,31-diol
SynonymsPubChem Synonyms
Exact mass572.459330 (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
FormulaC40H60O2View other entries in RefMet with this formula
Molecular descriptors
Molfile28876 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C40H60O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,
10)42/h11-16,19-28,41-42H,17-18,29-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChIKeyFOHPEEJTFCJHNI-FIKDCGPASA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(C)O)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC40 isoprenoids
Distribution of Dihydroxylycopene in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Dihydroxylycopene
External Links
Pubchem CID14502754
LIPID MAPSLMPR01070116
ChEBI ID63065
KEGG IDC19894
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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