Structure Database (LMSD)

Common Name
Anhydroeschscholtzxanthin
Systematic Name
Synonyms
LM ID
LMPR01070025
Formula
C40H50
Exact Mass
Calculate m/z
530.39125
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)
PWZXLDMNUZDPKS-VDISQYCASA-N
InChi (Click to copy)
InChI=1S/C40H50/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-30H,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27+,38-28+
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(\C)=C\C=C2\C(C)(C)C=CC=C\2C)/C(C)(C)C=C1

References

Other Databases

LIPIDBANK ID
VCA0023
PubChem CID
16061192

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 2
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 638.88
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.93
Molar Refractivity 181.11

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Created at
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Updated at
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