Structure Database (LMSD)

Common Name
15Z-Spheroiden
Systematic Name
(15Z)-1-Methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene
Synonyms
  • 15-cis-Spheroidene
LM ID
LMPR01070428
Formula
C41H60O
Exact Mass
Calculate m/z
568.464415
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cereibacter sphaeroides (#1063)
Alphaproteobacteria (#28211)
Triplet-state conformational changes in 15-cis-spheroidene bound to the reaction center from Rhodobacter sphaeroides 2.4.1 as revealed by time-resolved EPR spectroscopy: strengthened hypothetical mechanism of triplet-energy dissipation.,
Biochemistry, 2006
Pubmed ID: 16475794

String Representations

InChiKey (Click to copy)
FJOCMTHZSURUFA-LPGJJEOCSA-N
InChi (Click to copy)
InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12-,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
SMILES (Click to copy)
C(/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(OC)(C)C)=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C

Other Databases

PubChem CID
448343
Carotenoid ID
CA00082

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 694.97
Topological Polar Surface Area 9.23
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 13.07
Molar Refractivity 192.36

Admin

Created at
17th Nov 2021
Updated at
22nd Nov 2021