Structure Database (LMSD)

Common Name
3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z-Hentriacontanonaene
Systematic Name
3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z-Hentriacontanonaene
Synonyms
LM ID
LMFA11000016
Formula
C31H46
Exact Mass
Calculate m/z
418.35995
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

String Representations

InChiKey (Click to copy)
QBQCAYTWEQRERN-VHUCEKMMSA-N
InChi (Click to copy)
InChI=1S/C31H46/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31H,3-4,9-10,15-16,21-22,27-28,30H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-
SMILES (Click to copy)
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C\C/C=C\C/C=C\C/C=C\CC

Other Databases

PubChem CID
52922084

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 521.10
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.32
Molar Refractivity 144.40

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Created at
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Updated at
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