Structure Database (LMSD)

Common Name
15S-HpETE
Systematic Name
15S-hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
Synonyms
  • 15-HpETE
LM ID
LMFA03060014
Formula
C20H32O4
Exact Mass
Calculate m/z
336.23006
Sum Composition
FA 20:4;O2
Status
Active
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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)
BFWYTORDSFIVKP-VAEKSGALSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
SMILES (Click to copy)
C(/C=C\C/C=C\CCCC(=O)O)/C=C\C=C\[C@@H](OO)CCCCC

Other Databases

KEGG ID
C05966
HMDB ID
HMDB0004244
CHEBI ID
15628
LIPIDBANK ID
XPR6003
PubChem CID
5280893
SwissLipids ID
SLM:000389762
GuidePharm ID
2482

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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Updated at
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