LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG

Common Name

CVCL1

Systematic Name

7-(2-Buta-1E,3-dienyl-phenyl)-hepta-3E,5E-dienoic acid

Synonyms

LM ID

LMFA01140114

Formula

C₁₆H₁₆O₂

Exact Mass

Calculate m/z

240.11503

Sum Composition

FA 16:8

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

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)

BQGMIQAQNTYVNM-YISFRKSUSA-N

InChi (Click to copy)

InChI=1S/C16H16O2/c1-2-3-9-14-11-7-8-12-15(14)10-5-4-6-13-16(17)18/h2-12H,1,13H2,(H,17,18)/b6-4+,9-3+,10-5+

SMILES (Click to copy)

C(C/C=C/C=C/C1=CC=CC=C1/C=C/C=C)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 1

Aromatic Rings 1

Rotatable Bonds 6

Van der Waals Molecular Volume 258.56

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 3.93

Molar Refractivity 76.10

Admin

Created at

27th Oct 2024

Updated at