LIPID MAPS

Structure Database (LMSD)

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Common Name

4E,6E-nonenal

Systematic Name

4E,6E-nonenal

Synonyms

LM ID

LMFA06000277

Formula

C₉H₁₄O

Exact Mass

Calculate m/z

138.104465

Sum Composition

FAL 9:2

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)

ULMBCDDTBIJTAS-VNKDHWASSA-N

InChi (Click to copy)

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-6,9H,2,7-8H2,1H3/b4-3+,6-5+

SMILES (Click to copy)

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

Other Databases

PubChem CID

15870213

Calculated Physicochemical Properties

Heavy Atoms 10

Rings 0

Aromatic Rings 0

Rotatable Bonds 5

Van der Waals Molecular Volume 165.13

Topological Polar Surface Area 17.07

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 1

logP 2.49

Molar Refractivity 43.87

Admin

Created at

20th May 2020

Updated at