Structure Database (LMSD)

Common Name
13R-HETE
Systematic Name
13R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
  • 13R-HAA
  • 13R-Hydroxy-arachidonic acid
LM ID
LMFA03060118
Status
Active
Exact Mass
Calculate m/z
320.235145
Formula
C20H32O3
Abbrev
FA 20:4;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]

String Representations

InChiKey (Click to copy)
SAKQICHVWOJSNI-PRVIWIHFSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-/t19-/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\[C@H](O)/C=C\CCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lithothamnion corallioides (#1277934)
Florideophyceae (#2806)
Biosynthesis of 13R-hydroxyarachidonic acid, an unusual oxylipin from the red alga lithothamnion corallioides,
Phytochemistry, 1993

Other Databases

PubChem CID
101939320

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 367.73
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.47
Molar Refractivity 97.94

Admin

Created at
14th Nov 2020
Updated at
14th Nov 2020