Structure Database (LMSD)

Common Name
Alvaradoic acid
Systematic Name
Octa-dec-17-en-6-ynoic acid
Synonyms
  • 17-Octa-decen-6-ynoic acid
LM ID
LMFA01031029
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
FA 18:3
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)
VTNSDMZVIKRPSZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-11,14-17H2,(H,19,20)
SMILES (Click to copy)
C(CCCCC#CCCCCCCCCCC=C)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alvaradoa amorphoides (#85161)
Magnoliopsida (#3398)
Acetylenic acids of Alvaradoa amorphoides seed oil.,
Lipids, 1973
Pubmed ID: 27519761

Other Databases

PubChem CID
129725225
PlantFA ID
10085

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.98
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.33
Molar Refractivity 85.63

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022