Structure Database (LMSD)

Common Name
Hiragonic acid
Systematic Name
6,10,14-hexadecatrienoic acid
Synonyms
  • C16:3n-2,6,10
LM ID
LMFA01030137
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
FA 16:3
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
Sardina pilchardus (#27697)
Actinopteri (#186623)
THE HIGHLY UNSATURATED ACIDS IN SARDINE OIL. II. THE CONSTITUTION OF HIRAGONIC ACID C16H26O2,
Bulletin of the Chemical Society of Japan, 1935

String Representations

InChiKey (Click to copy)
ZKCRKOCVERWCLP-DJWHJZFYSA-N
InChi (Click to copy)
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,6-7,10-11H,4-5,8-9,12-15H2,1H3,(H,17,18)/b3-2+,7-6+,11-10+
SMILES (Click to copy)
C(=C/CC/C=C/C)\CC/C=C/CCCCC(=O)O

Other Databases

CHEBI ID
180366
LIPIDBANK ID
DFA0176
PubChem CID
5282812

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 292.38
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.88
Molar Refractivity 77.67

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Created at
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Updated at
25th Apr 2022