Structure Database (LMSD)

Common Name
Fritschiellaxanthin
Systematic Name
(3S,3'R,6'R)-3,3'-Dihydroxy-β,ε-caroten-4-one
Synonyms
  • (3S,3'R,6'R)-4-Ketolutein
LM ID
LMPR01070027
Status
Active
Exact Mass
Calculate m/z
582.407295
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
JKMGDISLOMKFOX-HZYGIUPKSA-N
InChi (Click to copy)
InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(C)=C[C@H](O)CC2(C)C)=C(C)C(=O)[C@H]1O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Fritschiella tuberosa (#56004)
Chlorophyceae (#3166)
Absolute Konfiguration von α-Doradexanthin und von Fritschiellaxanthin, einem neuen Carotinoid aus Fritschiella tuberosa,
Helv Chim Acta, 1978

Other Databases

CHEBI ID
LIPIDBANK ID
VCA0025
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 2
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 670.53
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 10.16
Molar Refractivity 185.52

Admin

Created at
-
Updated at
5th Apr 2022