Structure Database (LMSD)

Systematic Name
4Z,7Z,10Z-hexadecatrienoic acid
Synonyms
  • 16:3n-6
LM ID
LMFA01031367
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
FA 16:3
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 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
Mus musculus (#10090)
Mammalia (#40674)
Computationally unmasking each fatty acyl C=C position in complex lipids by routine LC-MS/MS lipidomics.,
Nat Commun, 2025
Pubmed ID: 40790030

String Representations

InChiKey (Click to copy)
SBIXFICRPNNLIR-QNEBEIHSSA-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/h6-7,9-10,12-13H,2-5,8,11,14-15H2,1H3,(H,17,18)/b7-6-,10-9-,13-12-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
92034255

Calculated Physicochemical Properties

Heavy Atoms 18
Rings
Aromatic Rings
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

Admin

Created at
8th Oct 2025
Updated at
8th Oct 2025