Structure Database (LMSD)

Common Name
Tunaxanthin
Systematic Name
ε,ε-Carotene-3,3'-diol
Synonyms
LM ID
LMPR01070969
Formula
C40H56O2
Exact Mass
Calculate m/z
568.428031
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Comments
Imported from http://carotenoiddb.jp/

String Representations

InChiKey (Click to copy)
BIPAHAFBQLWRMC-DKLMTRRASA-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/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
SMILES (Click to copy)
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1C(=CC(CC1(C)C)O)C)/C=C/C=C(\C)/C=C/C1C(=CC(CC1(C)C)O)C

Other Databases

PubChem CID
6384258
Carotenoid ID
CA00692

Admin

Created at
17th Nov 2021
Updated at
-