Structure Database (LMSD)

O OH
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

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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

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

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

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022