CHEBI:140610 - 4'-hydroxyechinenone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4'-hydroxyechinenone
ChEBI ID CHEBI:140610
Definition A member of the class of carotenone that is echinenone carrying an additional hydroxy substituent at position 4'.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C40H54O2
Net Charge 0
Average Mass 566.857
Monoisotopic Mass 566.41238
InChI InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey RONAGRFBGGXGHB-DKLMTRRASA-N
SMILES C=1(C(CCC(C1C)=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(CCC(C2C)O)(C)C)\C)\C)/C)/C
ChEBI Ontology
Outgoing 4'-hydroxyechinenone (CHEBI:140610) has functional parent echinenone (CHEBI:4746)
4'-hydroxyechinenone (CHEBI:140610) is a carotenone (CHEBI:35310)
4'-hydroxyechinenone (CHEBI:140610) is a enone (CHEBI:51689)
4'-hydroxyechinenone (CHEBI:140610) is a secondary alcohol (CHEBI:35681)
Synonym Source
4'-hydroxyechinenone UniProt
Citation Waiting for Citations Type Source
15659105 PubMed citation SUBMITTER