Structure Database (LMSD)

Common Name
Myristelaidic acid
Systematic Name
9E-tetradecenoic acid
Synonyms
  • C14:1n-5
LM ID
LMFA01030250
Status
Active
Exact Mass
Calculate m/z
226.19328
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)
YWWVWXASSLXJHU-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+
SMILES (Click to copy)
C(CCCCCCC/C=C/CCCC)(=O)O

References

Other Databases

LIPIDAT ID
6414
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.55
Molar Refractivity 68.62

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Created at
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Updated at
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