Structure Database (LMSD)

Common Name
4Z,7Z,9E,11E,13Z-hexadecapentaenoic acid
Systematic Name
(4Z,7Z,9E,11E,13Z)-hexadeca-(4,7,9,11,13)-pentaenoic acid
Synonyms
LM ID
LMFA01031159
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 are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anadyomene stellata (#204408)
Ulvophyceae (#33103)
Structure and biosynthesis of novel conjugated polyene fatty acids from the marine green alga Anadyomene stellata.,
Lipids, 1995
Pubmed ID: 7564911

String Representations

InChiKey (Click to copy)
SCKGVDPVUFEODH-APKWISMUSA-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/h3-10,12-13H,2,11,14-15H2,1H3,(H,17,18)/b4-3-,6-5+,8-7+,10-9-,13-12-
SMILES (Click to copy)
C(=C/C/C=C\C=C\C=C\C=C/CC)/CCC(=O)O

Other Databases

PubChem CID
171119081

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 287.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.43
Molar Refractivity 77.48

Admin

Created at
25th Jun 2019
Updated at
25th Apr 2022