Structure Database (LMSD)

OH OH
Common Name
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol
Systematic Name
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol
Synonyms
  • heptadeca-1,9Z,16-trien-4,6-diyn-3,8-diol
LM ID
LMFA05000029
Formula
C17H22O2
Exact Mass
Calculate m/z
258.16198
Sum Composition
FOH 17:7;O
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)
OLUQMFYBNOJBQQ-UVTDQMKNSA-N
InChi (Click to copy)
InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h3-4,10,14,16-19H,1-2,5-9H2/b14-10-
SMILES (Click to copy)
C(O)(C=C)C#CC#CC(O)/C=C\CCCCCC=C

References

Other Databases

PubChem CID
5283281

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 301.76
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.17
Molar Refractivity 81.21

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Created at
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Updated at
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