Structure Database (LMSD)

Common Name
12S-HpEPE
Systematic Name
12S-hydroperoxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070012
Status
Active
Exact Mass
Calculate m/z
334.21441
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)
HDMYXONNVAOHFR-UOLHMMFFSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
SMILES (Click to copy)
C(/C/C=C\CCCC(=O)O)=C/C=C/[C@@H](OO)C/C=C\C/C=C\CC

References

Other Databases

CHEBI ID
LIPIDBANK ID
DFA8149
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 373.88
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.92
Molar Refractivity 99.21

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Created at
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Updated at
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