Structure Database (LMSD)

Common Name
Pyrulic acid
Systematic Name
10E-heptadecen-8-ynoic acid
Synonyms
  • 10-Heptadecen-8-ynoic acid, (E)-
  • Leptomeric acid
LM ID
LMFA01030482
Formula
C17H28O2
Exact Mass
Calculate m/z
264.20893
Sum Composition
FA 17:3
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
Pyrularia pubera (#3960)
Magnoliopsida (#3398)
Acetylenic fatty acids of Pyrularia pubera seed oil,
J. Chem. Soc. C, 1968

String Representations

InChiKey (Click to copy)
LRDHPEKBQXDTLO-BQYQJAHWSA-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/h7-8H,2-6,11-16H2,1H3,(H,18,19)/b8-7+
SMILES (Click to copy)
C(CCCCCCC#C/C=C/CCCCCC)(=O)O

Other Databases

LIPIDAT ID
4201
CHEBI ID
187142
PubChem CID
5312621
PlantFA ID
10772

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 309.68
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.94
Molar Refractivity 81.01

Admin

Created at
-
Updated at
25th Apr 2022