Structure Database (LMSD)

Common Name
(3S,3'S)-Zeaxanthin
Systematic Name
(3S,3'S)-β,β-Carotene-3,3'-diol
Synonyms
LM ID
LMPR01070645
Formula
C40H56O2
Exact Mass
Calculate m/z
568.42803
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
Oncorhynchus keta (#8018)
Actinopteri (#186623)
The first isolation of enantiomeric and meso-zeaxanthin in nature.,
Comp Biochem Physiol B, 1986
Pubmed ID: 3943294
Paratya compressa compressa (#500625)
Malacostraca (#6681)
The first isolation of enantiomeric and meso-zeaxanthin in nature.,
Comp Biochem Physiol B, 1986
Pubmed ID: 3943294

String Representations

InChiKey (Click to copy)
JKQXZKUSFCKOGQ-ANDPMPNWSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/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](O)CC2(C)C)=C(C)C[C@@H]1O

Other Databases

CHEBI ID
176102
PubChem CID
21772452
Carotenoid ID
CA00330
PDB ID
C7Z

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