input word = C00022862

Metabolite InformationStructural formula
Name Alloxanthin
Cynthiaxanthin
Pectenoxanthin
(3R,3'R)-7,7',8,8'-Tetradehydro-beta,beta-carotene-3,3'-diol
Formula C40H52O2
Mw 564.3967309
CAS RN 28380-31-6
C_ID C00022862 ,
InChIKey DVICWXUADSCSLL-KUIHZWJRNA-N
InChICode InChI=1S/C40H52O2/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/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
SMILES CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAmblycipitidaeLiobagrus reinii Ref.
AnimaliaBagridaePelteobagrus nudiceps Ref.
AnimaliaCallichthyidaeCorydoras melanistius Ref.
AnimaliaIctaluridaeIctalurus punctatus Ref.
AnimaliaMalapteruridaeMalapterurus electricus Ref.
AnimaliaPectinidaePecten maximus Ref.
AnimaliaPlotosidaePlotosus lineatus Ref.
AnimaliaSiluridaeSilurus asotus Ref.
AnimaliaSiluridaeSilurus biwaensis Ref.
AnimaliaSiluridaeSilurus lithophilus Ref.
AnimaliaSiluridaeSilurus microdorsalis Ref.
ChromalveolataCryptomonadaceaeCryptomonas ovata Ref.
PlantaeCorbiculidaeCorbicula japonica Ref.
PlantaeCorbiculidaeCorbicula sandai Ref.
--Hemiselmis virescens Ref.
--Mytilus edulis Ref.
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OrganismPelteobagrus nudiceps
ReferenceTsushima,Comp. Biochem. Physiol.,133B,(2002),331