Structure Database (LMSD)

Common Name
Dihydrospheroidene/ Methoxyneurosporene
Systematic Name
Synonyms
LM ID
LMPR01070149
Status
Active
Exact Mass
Calculate m/z
570.480065
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)
IUUXWKRRZDDNQG-JLKFYMEISA-N
InChi (Click to copy)
InChI=1S/C41H62O/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/h12-13,15-16,18,20-22,24-28,30-31H,14,17,19,23,29,32-33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
SMILES (Click to copy)
CC(C)(OC)CCC/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

References

Other Databases

KEGG ID
CHEBI ID
LIPIDBANK ID
VCA1067
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 697.61
Topological Polar Surface Area 9.23
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 13.30
Molar Refractivity 192.45

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Created at
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Updated at
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