Structure Database (LMSD)

Common Name
5Z,9Z,12Z-heptadecatrienoic acid
Systematic Name
5Z,9Z,12Z-heptadecatrienoic acid
Synonyms
LM ID
LMFA01031115
Formula
C17H28O2
Exact Mass
Calculate m/z
264.20893
Sum Composition
FA 17:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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
Heterostelium pallidum (#13642)
Eumycetozoa (#142796)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

String Representations

InChiKey (Click to copy)
BBKXRISLVPKIPJ-NLDSCFMSSA-N
InChi (Click to copy)
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h5-6,8-9,12-13H,2-4,7,10-11,14-16H2,1H3,(H,18,19)/b6-5-,9-8-,13-12-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\C/C=C\CCCC)(=O)O

Other Databases

PubChem CID
87187678

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 309.68
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.27
Molar Refractivity 82.28

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Created at
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Updated at
25th Apr 2022