Structure Database (LMSD)
Common Name
Lutein 5,6-epoxide
Systematic Name
Synonyms
3D model of Lutein 5,6-epoxide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DYUUPIKEWLHQGQ-FJOIUHRLSA-N
InChi (Click to copy)
InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1
SMILES (Click to copy)
[C@]12(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]3C(C)=C[C@H](O)CC3(C)C)C(C)(C)C[C@H](O)C[C@]1(O2)C
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Carotenoid ID
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
3
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
663.45
Topological Polar Surface Area
52.99
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
10.76
Molar Refractivity
185.67
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Created at
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Updated at
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