Structure Database (LMSD)

Common Name
11Z-Hexadecen-7,9-diynoic acid
Systematic Name
11Z-Hexadecen-7,9-diynoic acid
Synonyms
  • 11-Hexadecen-7,9-diynoic acid, (Z)-
  • Z-11-Hexadecen-7,9-diynoic acid
  • Hexadec-11c-en-7,9-diynoic acid
LM ID
LMFA01031108
Formula
C16H22O2
Exact Mass
Calculate m/z
246.16198
Sum Composition
FA 16:5
Status
Active
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
Heisteria acuminata (#681446)
Magnoliopsida (#3398)
New acetylenes isolated from the bark of Heisteria acuminata.,
J Nat Prod, 1998
Pubmed ID: 9584394

String Representations

InChiKey (Click to copy)
ZYKRBUYXWXJLBD-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C16H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,11-15H2,1H3,(H,17,18)/b6-5-
SMILES (Click to copy)
C(CCCCCC#CC#C/C=C\CCCC)(=O)O

Other Databases

CHEBI ID
187858
PubChem CID
10422039
PlantFA ID
10593

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 287.1
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.77
Molar Refractivity 74.94

Admin

Created at
-
Updated at
25th Apr 2022