Structure Database (LMSD)

Common Name
Zeaxanthin monopalmitate
Systematic Name
(3R,3'R)-3'-Dihexadecanoyloxy-β,β-carotene-3-ol
Synonyms
LM ID
LMPR01070705
Formula
C56H86O3
Exact Mass
Calculate m/z
806.657695
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]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lycium barbarum (#112863)
Magnoliopsida (#3398)
Goji (Lycium barbarum and L. chinense): Phytochemistry, pharmacology and safety in the perspective of traditional uses and recent popularity.,
Planta Med, 2010
Pubmed ID: 19844860

String Representations

InChiKey (Click to copy)
NEKJJRRGLJWOGC-BXMXIECFSA-N
InChi (Click to copy)
InChI=1S/C56H86O3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-35-54(58)59-51-41-49(7)53(56(10,11)43-51)39-37-47(5)34-28-32-45(3)30-26-25-29-44(2)31-27-33-46(4)36-38-52-48(6)40-50(57)42-55(52,8)9/h25-34,36-39,50-51,57H,12-24,35,40-43H2,1-11H3/b26-25+,31-27+,32-28+,38-36+,39-37+,44-29+,45-30+,46-33+,47-34+/t50-,51-/m1/s1
SMILES (Click to copy)
C1C(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@@H](OC(=O)CCCCCCCCCCCCCCC)CC2(C)C)=C(C)C[C@H]1O

Other Databases

PubChem CID
87758815
Carotenoid ID
CA01218

Calculated Physicochemical Properties

Heavy Atoms 59
Rings 2
Aromatic Rings
Rotatable Bonds 26
Van der Waals Molecular Volume 947.33
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 17.15
Molar Refractivity 259.38

Admin

Created at
17th Nov 2021
Updated at
2nd Dec 2021