Structure Database (LMSD)

Common Name
7,10,13-hexadecatrienoic acid
Systematic Name
7Z,10Z,13Z-hexadecatrienoic acid
Synonyms
  • C16:3n-3,6,9
LM ID
LMFA01030138
Status
Active
Exact Mass
Calculate m/z
250.19328
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KBGYPXOSNDMZRV-PDBXOOCHSA-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/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCCCC/C=C\C/C=C\C/C=C\CC)(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0177
PubChem CID
PlantFA ID

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

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

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Created at
-
Updated at
25th Apr 2022