Structure Database (LMSD)

Common Name
Fucoxanthinol
Systematic Name
Synonyms
LM ID
LMPR01070055
Formula
C40H56O5
Exact Mass
Calculate m/z
616.412775
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
NZEPSBGUXWWWSI-VOPPYBPXSA-N
InChi (Click to copy)
InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-36(5,6)23-32(41)25-38(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)27-40-37(7,8)24-33(42)26-39(40,10)45-40/h11-21,32-33,41-42,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22-,32-,33-,38+,39+,40-/m0/s1
SMILES (Click to copy)

Other Databases

LIPIDBANK ID
VCA0053
PubChem CID
11273547
Carotenoid ID
CA00513

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 3
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 681.03
Topological Polar Surface Area 90.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 9.55
Molar Refractivity 187.12

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Updated at
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