Structure Database (LMSD)

Common Name
Spheroidene
Systematic Name
Synonyms
LM ID
LMPR01070119
Status
Active
Exact Mass
Calculate m/z
568.464415
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FJOCMTHZSURUFA-AXYGSFPTSA-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(/CC(C)(C)OC)=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\CC/C=C(/CC/C=C(\C)/C)\C)/C)\C)\C)\C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cereibacter sphaeroides (#1063)
Alphaproteobacteria (#28211)
Purification and biochemical characterization of a hydroxyneurosporene desaturase involved in the biosynthetic pathway of the carotenoid spheroidene in Rhodobacter sphaeroides.,
J Bacteriol, 1997
Pubmed ID: 9393712

Other Databases

KEGG ID
CHEBI ID
LIPIDBANK ID
VCA1037
PubChem CID
Carotenoid ID

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

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Created at
-
Updated at
24th Nov 2021