Structure Database (LMSD)

Common Name
6,8,10,12-pentadecatetraenal
Systematic Name
6,8,10,12-pentadecatetraenal
Synonyms
LM ID
LMFA06000087
Formula
C15H22O
Exact Mass
Calculate m/z
218.167065
Sum Composition
FAL 15:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
ZSDGTOPNWLXOHV-BYFNFPHLSA-N
InChi (Click to copy)
InChI=1S/C15H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h3-10,15H,2,11-14H2,1H3/b4-3+,6-5+,8-7+,10-9+
SMILES (Click to copy)
C(=C/C=C/CC)\C=C\C=C\CCCCC([H])=O

Other Databases

CHEBI ID
165521
PubChem CID
5283373

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 263.65
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.38
Molar Refractivity 71.38

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Created at
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Updated at
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