Structure database (LMSD)

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LM IDLMPR0105020005
Common NameSomaliensene B
Systematic Name(4S)-1-methyl-4-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-
yl]cyclohexene
Synonyms-
Exact Mass
340.3130 (neutral)    Calculate m/z:
FormulaC25H40
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Cyclohexane sesterterpenoids [PR010502]
PubChem CID139589961
InChIKeyBGFULIZGCATQRB-WWYOOSCYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C/C(/C)=C/CC/C(=C/CC/C(/C)=C/CCC([C@@H]1CC=C(C)CC1)=C)/C
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StatusActive
ReferencesIdentification and Characterization of a Membrane-Bound Sesterterpene Cyclase from Streptomyces somaliensis.
J Nat Prod, 2018
DOI: 10.1021/acs.jnatprod.7b01033
PMID: 29553734
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
415.50Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.49Molar
Refractivity
114.89