Structure Database (LMSD)

Common Name
Lutein 5,6-epoxide
Systematic Name
Synonyms
LM ID
LMPR01070275
Formula
C40H56O3
Exact Mass
Calculate m/z
584.422945
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

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

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
Lutein_5,6-epoxide
KEGG ID
C08602
HMDB ID
HMDB0041590
CHEBI ID
27448
PubChem CID
5281244
Carotenoid ID
CA00627

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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