LIPID MAPS

Structure Database (LMSD)

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Common Name

4E,6E-undecenal

Systematic Name

4E,6E-undecenal

Synonyms

LM ID

LMFA06000278

Formula

C₁₁H₁₈O

Exact Mass

Calculate m/z

166.135765

Sum Composition

FAL 11:2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Thalassiosira rotula (#49265)

Coscinodiscophyceae (#33836)

Detection of short-chain aldehydes in marine organisms: the diatom Thalassiosira rotula,
Tetrahedron Letts, 2002

DOI: 10.1016/S0040-4039(02)01283-2

String Representations

InChiKey (Click to copy)

RPLCHVGVUPGNRY-BSWSSELBSA-N

InChi (Click to copy)

InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h5-8,11H,2-4,9-10H2,1H3/b6-5+,8-7+

SMILES (Click to copy)

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

Other Databases

PubChem CID

14250377

Calculated Physicochemical Properties

Heavy Atoms 12

Rings 0

Aromatic Rings 0

Rotatable Bonds 7

Van der Waals Molecular Volume 199.73

Topological Polar Surface Area 17.07

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 1

logP 3.27

Molar Refractivity 53.10

Admin

Created at

20th May 2020

Updated at