Structure Database (LMSD)

Common Name
Lutein F
Systematic Name
(3R,3'R,6S)-β,ε-Carotene-3,3'-diol
Synonyms
  • 6'-Epilutein
LM ID
LMPR01070029
Formula
C40H56O2
Exact Mass
Calculate m/z
568.428031
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Branchiostegus japonicus (#270562)
Actinopteri (#186623)
Comparative biochemical studies of carotenoids in fishes--XXIX. Isolation of new luteins, lutein F and lutein G from marine fishes.,
Comp Biochem Physiol B, 1986
Pubmed ID: 3769462
Gymnogobius castaneus (#255296)
Actinopteri (#186623)
New Acetylenic Carotenoid 6'-Epimonadoxanthin from the Rosary Goby Gymnogobius castaneus.,
J Oleo Sci, 2018
Pubmed ID: 30305558

String Representations

InChiKey (Click to copy)
KBPHJBAIARWVSC-WTAPCXIZSA-N
InChi (Click to copy)
InChI=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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,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[C@H]1O

Other Databases

HMDB ID
HMDB03415
LIPIDBANK ID
VCA0027
PubChem CID
16061195
Carotenoid ID
CA00598

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 664.38
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 10.98
Molar Refractivity 185.13

Admin

Created at
-
Updated at
10th Dec 2025