Structure Database (LMSD)

Common Name
11,13-hexadecadienal
Systematic Name
11,13-hexadecadienal
Synonyms
LM ID
LMFA06000095
Formula
C16H28O
Exact Mass
Calculate m/z
236.214015
Sum Composition
FAL 16:2
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)
ZTJGMVSDMQAJPE-VNKDHWASSA-N
InChi (Click to copy)
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3+,6-5+
SMILES (Click to copy)
C(/C=C/C=C/CC)CCCCCCCCC([H])=O

Other Databases

CHEBI ID
196170
PubChem CID
5283379

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 286.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.22
Molar Refractivity 76.19

Admin

Created at
-
Updated at
-