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CHEBI:35326 - tunaxanthin

ChEBI IDCHEBI:35326
ChEBI Nametunaxanthin
Stars
DefinitionA carotenol isolated from the white tuna, or albacore tuna (Thunnus albacares).
Last Modified8 May 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC40H56O2
Net Charge0
Average Mass568.886
Monoisotopic Mass568.42803
SMILESCC1=CC(O)CC(C)(C)C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1C(C)=CC(O)CC1(C)C
InChIInChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKeyBIPAHAFBQLWRMC-DKLMTRRASA-N
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
tunaxanthin (CHEBI:35326) has role animal metabolite (CHEBI:75767)
tunaxanthin (CHEBI:35326) has role marine metabolite (CHEBI:76507)
tunaxanthin (CHEBI:35326) is a carotenol (CHEBI:23045)
Incoming Relation(s)
lactucaxanthin (CHEBI:6357) is a tunaxanthin (CHEBI:35326)
IUPAC Name 
ε,ε-carotene-3,3'-diol
Registry NumbersSources
Reaxys:2031575Reaxys
Citations