Structure Database (LMSD)

Common Name
Somaliensene B
Systematic Name
(4S)-1-methyl-4-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]cyclohexene
Synonyms
LM ID
LMPR0105020005
Formula
C25H40
Exact Mass
Calculate m/z
340.313
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C25 isoprenoids (sesterterpenes) [PR0105]
Cyclohexane sesterterpenoids [PR010502]

String Representations

InChiKey (Click to copy)
BGFULIZGCATQRB-WWYOOSCYSA-N
InChi (Click to copy)
InChI=1S/C25H40/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-24(6)25-18-16-23(5)17-19-25/h10,12,14,16,25H,6-9,11,13,15,17-19H2,1-5H3/b21-12+,22-14+/t25-/m1/s1
SMILES (Click to copy)
C/C(/C)=C/CC/C(=C/CC/C(/C)=C/CCC([C@@H]1CC=C(C)CC1)=C)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces somaliensis (#78355)
Actinomycetia (#1760)
Identification and Characterization of a Membrane-Bound Sesterterpene Cyclase from Streptomyces somaliensis.,
J Nat Prod, 2018
Pubmed ID: 29553734

Other Databases

PubChem CID
139589961

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 415.50
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.49
Molar Refractivity 114.89

Admin

Created at
11th Nov 2020
Updated at
11th Nov 2020