Structure Database (LMSD)

Common Name
Lycopadiene
Systematic Name
2,6R,10R,14,19,23R,27R,31-octamethyldotriaconta-14E,18E-diene
Synonyms
LM ID
LMPR01070398
Formula
C40H78
Exact Mass
Calculate m/z
558.61035
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
JBDZFQFIKGPIRH-PQPPKSKMSA-N
InChi (Click to copy)
InChI=1S/C40H78/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h21-22,33-34,37-40H,11-20,23-32H2,1-10H3/b35-21+,36-22+/t37-,38-,39+,40+/m1/s1
SMILES (Click to copy)
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(/C)=C/CC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Botryococcus braunii (#38881)
Trebouxiophyceae (#75966)
Lycopadiene, a tetraterpenoid hydrocarbon from new strains of the green alga Botryococcus braunii,
Tetrahedron Letts, 1987

Other Databases

CHEBI ID
142539
PubChem CID
13889926

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 695.28
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.54
Molar Refractivity 186.19

Admin

Created at
30th Oct 2020
Updated at
30th Oct 2020