Structure Database (LMSD)

Common Name
13Z-Hexadecen-11-ynal
Systematic Name
13Z-Hexadecen-11-ynal
Synonyms
LM ID
LMFA06000213
Formula
C16H26O
Exact Mass
Calculate m/z
234.198365
Sum Composition
FAL 16:3
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)
JZWLAADUVSGHNW-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-4,16H,2,7-15H2,1H3/b4-3-
SMILES (Click to copy)
C(CCCCCCCCCC#C/C=C\CC)(=O)[H]

Other Databases

CHEBI ID
180124
PubChem CID
10609771

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 283.59
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.67
Molar Refractivity 74.82

Admin

Created at
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Updated at
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