Structure Database (LMSD)

O OH
Common Name
14-methyl-5Z,9Z-pentadecadienoic acid
Systematic Name
14-methyl-5Z,9Z-pentadecadienoic acid
Synonyms
LM ID
LMFA01031209
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
FA 16:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PKYKYVUOJCITJQ-SFECMWDFSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCC(C)C)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Eunicea succinea (#287898)
Anthozoa (#6101)
Identification of the novel antimicrobial fatty acid (5Z,9Z)-14-methyl-5,9-pentadecadienoic acid in Eunicea succinea.,
J Nat Prod, 1997
Pubmed ID: 9170293

Other Databases

PubChem CID
10106262

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.96
Molar Refractivity 77.69

Admin

Created at
12th Nov 2020
Updated at
12th Nov 2020