Structure Database (LMSD)

Common Name
9E,11Z-Pentadecadienal
Systematic Name
9E,11Z-Pentadecadienal
Synonyms
LM ID
LMFA06000191
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Sum Composition
FAL 15:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
HBRILLUVVCIJEX-SCFJQAPRSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h4-7,15H,2-3,8-14H2,1H3/b5-4-,7-6+
SMILES (Click to copy)
C(CCCCCCC/C=C/C=C\CCC)(=O)[H]

Other Databases

PubChem CID
44256581

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 268.93
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.83
Molar Refractivity 71.57

Admin

Created at
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Updated at
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