Structure Database (LMSD)

OH OH
Common Name
Isozeaxanthin
Systematic Name
β,β-Carotene-4,4'-diol
Synonyms
LM ID
LMPR01070646
Formula
C40H56O2
Exact Mass
Calculate m/z
568.42803
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)
GYZWNQLEQAGWGD-DKLMTRRASA-N
InChi (Click to copy)
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37-38,41-42H,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)C(O)CCC2(C)C)=C(C)C(O)C1

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Xipholena punicea (#114392)
Aves (#8782)
Novel methoxy-carotenoids from the burgundy-colored plumage of the Pompadour Cotinga Xipholena punicea.,
Arch Biochem Biophys, 2010
Pubmed ID: 20709013
Rhacophorus bipunctatus (#191205)
Amphibia (#8292)
Characterization of carotenoid pigments in amphibian, Rhacophorous bipunctatus
Merismopedia punctata (#882065)
The carotenoids of blue-green algae,
Phytochemistry, 1971

Other Databases

CHEBI ID
176095
PubChem CID
11757703
Carotenoid ID
CA00331

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 664.38
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.12
Molar Refractivity 185.20

Admin

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