Structure Database (LMSD)

OH O OH O
Common Name
5S-HpETE
Systematic Name
5S-hydroperoxy-6E,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
  • 5-HpETE
LM ID
LMFA03060012
Formula
C20H32O4
Exact Mass
Calculate m/z
336.23006
Sum Composition
FA 20:4;O2
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
JNUUNUQHXIOFDA-JGKLHWIESA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
SMILES (Click to copy)
C(/C=C\C=C\[C@@H](OO)CCCC(=O)O)/C=C\C/C=C\CCCCC

References

Other Databases

KEGG ID
C05356
HMDB ID
HMDB0001193
CHEBI ID
15632
LIPIDBANK ID
XPR6001
PubChem CID
5280778
SwissLipids ID
SLM:000000969
GuidePharm ID
2483

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 376.52
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.14
Molar Refractivity 99.30

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Created at
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Updated at
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