Structure Database (LMSD)

O O
Common Name
Rhodoxanthin
Systematic Name
Synonyms
LM ID
LMPR01070280
Formula
C40H50O2
Exact Mass
Calculate m/z
562.38108
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
VWXMLZQUDPCJPL-ZDHAIZATSA-N
InChi (Click to copy)
InChI=1S/C40H50O2/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/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-
SMILES (Click to copy)
C1(=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C2/C(C)=CC(=O)CC/2(C)C)\C(C)=CC(=O)CC\1(C)C

References

Other Databases

Wikipedia
Rhodoxanthin
KEGG ID
C08610
CHEBI ID
8835
PubChem CID
5281251
Carotenoid ID
CA00466

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 656.46
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 10.74
Molar Refractivity 182.08

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Updated at
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