LIPID MAPS

Structure Database (LMSD)

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Common Name

2E,4Z,7-octatrienal

Systematic Name

2E,4Z,7-octatrienal

Synonyms

LM ID

LMFA06000272

Formula

C₈H₁₀O

Exact Mass

Calculate m/z

122.073165

Sum Composition

FAL 8:3

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Skeletonema marinoi (#267567)

Coscinodiscophyceae (#33836)

LOX-induced lipid peroxidation mechanism responsible for the detrimental effect of marine diatoms on zooplankton grazers.,
Chembiochem, 2007

Pubmed ID: 17886321

String Representations

InChiKey (Click to copy)

VEIAVWGDUXTGOR-SCFJQAPRSA-N

InChi (Click to copy)

InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2,4-8H,1,3H2/b5-4-,7-6+

SMILES (Click to copy)

C([H])(=O)/C=C/C=C\CC=C

Other Databases

PubChem CID

92033462

Calculated Physicochemical Properties

Heavy Atoms 9

Rings 0

Aromatic Rings 0

Rotatable Bonds 4

Van der Waals Molecular Volume 145.19

Topological Polar Surface Area 17.07

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 1

logP 1.87

Molar Refractivity 39.16

Admin

Created at

19th May 2020

Updated at