Structure Database (LMSD)

Common Name
(E)-octadec-13-en-11-ynoic acid
Systematic Name
Octadeca-13E-en-11-ynoic acid
Synonyms
LM ID
LMFA01031148
Status
Active
Exact Mass
Calculate m/z
278.22458
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WHEVOQUCZMDNBG-AATRIKPKSA-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/h5-6H,2-4,9-17H2,1H3,(H,19,20)/b6-5+
SMILES (Click to copy)
OC(=O)CCCCCCCCCC#C/C=C/CCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nanodea muscosa (#463667)
Magnoliopsida (#3398)
Biosynthesis and function of polyacetylenes and allied natural products.,
Prog Lipid Res, 2008
Pubmed ID: 18387369

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
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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Admin

Created at
-
Updated at
25th Apr 2022