Structure Database (LMSD)

OH HO OH
Common Name
5-Hydroxyzeaxanthin
Systematic Name
5,6-Dihydro-β,β-carotene-3,5,3'-triol
Synonyms
LM ID
LMPR01070659
Formula
C40H58O3
Exact Mass
Calculate m/z
586.438595
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)
SKUYMQDJUIKEAR-DKLMTRRASA-N
InChi (Click to copy)
InChI=1S/C40H58O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37-39(8,9)27-35(42)28-40(37,10)43/h11-24,34-35,37,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
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)CC(O)CC2(C)C)C(C)(O)CC1O

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Imported from Carotenoids DB http://carotenoiddb.jp/

Other Databases

PubChem CID
87442798
Carotenoid ID
CA00379

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 2
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 675.81
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 10.46
Molar Refractivity 187.12

Admin

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