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
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)
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

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

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