Structure Database (LMSD)

Common Name
4Z,11Z-octadecadienoic acid
Systematic Name
4Z,11Z-octadecadienoic acid
Synonyms
  • delta4,11-18:2
LM ID
LMFA01031168
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bathysiphon (#212484)
New and Uncommon Fatty Acids in Lipids of Deep-Sea Foraminifera.,
Lipids, 2017
Pubmed ID: 28210982

String Representations

InChiKey (Click to copy)
CJRKVVFTDMYLGK-XWUSKMMESA-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/h7-8,14-15H,2-6,9-13,16-17H2,1H3,(H,19,20)/b8-7-,15-14-
SMILES (Click to copy)
C(CC/C=C\CCCCC/C=C\CCCCCC)(=O)O

Other Databases

PubChem CID
171119079

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

Admin

Created at
22nd Oct 2019
Updated at
25th Apr 2022