Structure Database (LMSD)

Common Name
8-octadecynoic acid
Systematic Name
8-octadecynoic acid
Synonyms
  • 8-Octadecynoic acid
LM ID
LMFA01030454
Status
Active
Exact Mass
Calculate m/z
280.24023
Formula
C18H32O2
Abbrev
FA 18:2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

String Representations

InChiKey (Click to copy)
UMMVRDLPKAVUII-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-9,12-17H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCC#CCCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
1786
PubChem CID
5312596
PlantFA ID
10742

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.56
Molar Refractivity 85.72

Reactions

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Admin

Created at
-
Updated at
25th Apr 2022