Structure Database (LMSD)

Common Name
docosapentaenoic acid
Systematic Name
2E,4E,6E,8E,10E-docosapentaenoic acid
Synonyms
  • C22:5n-12,14,16,18,20
LM ID
LMFA04000049
Status
Active
Exact Mass
Calculate m/z
330.25588
Formula
Abbrev


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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)
YEKFYCQGYMVFKR-MBFZXKRTSA-N
InChi (Click to copy)
InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h12-21H,2-11H2,1H3,(H,23,24)/b13-12+,15-14+,17-16+,19-18+,21-20+
SMILES (Click to copy)
C(=O)(O)/C=C/C=C/C=C/C=C/C=C/CCCCCCCCCCC

References

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 390.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.77
Molar Refractivity 105.18

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Updated at
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