Structure Database (LMSD)

Common Name
9-hexadecen-1-ol
Systematic Name
9-hexadecen-1-ol
Synonyms
  • hexadeca-9-en-1-ol
LM ID
LMFA05000030
Formula
C16H32O
Exact Mass
Calculate m/z
240.245315
Sum Composition
FOH 16:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
LBIYNOAMNIKVKF-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,17H,2-6,9-16H2,1H3/b8-7+
SMILES (Click to copy)
C(/CCCCCC)=C\CCCCCCCCO

References

Other Databases

CHEBI ID
165513
PubChem CID
5283282

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 291.51
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.52
Molar Refractivity 77.79

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022