Structure Database (LMSD)

Common Name
Somaliensene A
Systematic Name
(1S,5S,6R)-2,6-dimethyl-6-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]bicyclo[3.1.1]hept-2-ene
Synonyms
LM ID
LMPR0105020006
Formula
C25H40
Exact Mass
Calculate m/z
340.313
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
VJINTGNFGLYKKX-LMVZUQRVSA-N
InChi (Click to copy)
InChI=1S/C25H40/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-17-25(6)23-16-15-22(5)24(25)18-23/h10,12,14-15,23-24H,7-9,11,13,16-18H2,1-6H3/b20-12+,21-14+/t23-,24-,25+/m0/s1
SMILES (Click to copy)
C/C(/C)=C/CC/C(=C/CC/C(/C)=C/CC[C@]1(C)[C@@H]2C[C@H]1C(C)=CC2)/C

Other Databases

PubChem CID
139589960

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 401.98
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.18
Molar Refractivity 112.73

Admin

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