Structure Database (LMSD)

Common Name
14,17-Octadecadienoic acid
Systematic Name
14,17-Octadecadienoic acid
Synonyms
LM ID
LMFA01031102
Formula
Exact Mass
Calculate m/z
280.24023
Sum Composition
Status
Active

Classification

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

String Representations

InChiKey (Click to copy)
XUJZXUBHXZOWMW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,4-5H,1,3,6-17H2,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCCCC=CCC=C)(=O)O

Other Databases

CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

Admin

Created at
-
Updated at
25th Apr 2022