Structure Database (LMSD)

Common Name
CVCL2
Systematic Name
7-(2-Buta-2E-enyl-phenyl)-hepta-3E,5E-dienoic acid
Synonyms
LM ID
LMFA01140115
Formula
C16H18O2
Exact Mass
Calculate m/z
242.13068
Sum Composition
FA 16:7
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chromobacterium violaceum (#536)
Betaproteobacteria (#28216)
Cinnamoyl lipids as novel signaling molecules modulate the physiological metabolism of cross-phylum microorganisms.,
Commun Biol, 2024
Pubmed ID: 39354171

String Representations

InChiKey (Click to copy)
HUDQIHORHGUBLZ-COIQNDSSSA-N
InChi (Click to copy)
InChI=1S/C16H18O2/c1-2-3-9-14-11-7-8-12-15(14)10-5-4-6-13-16(17)18/h2-8,10-12H,9,13H2,1H3,(H,17,18)/b3-2+,6-4+,10-5+
SMILES (Click to copy)
C(C/C=C/C=C/C1=CC=CC=C1C/C=C/C)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 261.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.85
Molar Refractivity 75.39

Admin

Created at
27th Oct 2024
Updated at
27th Oct 2024