EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140676 - 4',4'-dihydroxyechinenone

ChEBI IDCHEBI:140676
ChEBI Name4',4'-dihydroxyechinenone
Stars
DefinitionA member of the class of carotenone that is echinenone carrying two additional hydroxy substituents at position 4'.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC40H54O3
Net Charge0
Average Mass582.869
Monoisotopic Mass582.40730
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(O)(O)CCC2(C)C)C(C)(C)CCC1=O
InChIInChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-26-38(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)40(42,43)28-27-39(36,9)10/h11-24,42-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKeyITSJHBXHRYIFLX-DKLMTRRASA-N
ChEBI Ontology
Outgoing Relation(s)
4',4'-dihydroxyechinenone (CHEBI:140676) has functional parent echinenone (CHEBI:4746)
4',4'-dihydroxyechinenone (CHEBI:140676) is a carotenone (CHEBI:35310)
4',4'-dihydroxyechinenone (CHEBI:140676) is a enone (CHEBI:51689)
UniProt Name  Source
4',4'-dihydroxyechinenoneUniProt
Manual XrefsDatabases
CPD-20425MetaCyc
Citations