LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

13R-HETE

Systematic Name

13R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

Synonyms

13R-HAA
13R-Hydroxy-arachidonic acid

LM ID

LMFA03060118

Formula

C₂₀H₃₂O₃

Exact Mass

Calculate m/z

320.235145

Sum Composition

FA 20:4;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

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

DOI: 10.1016/S0031-9422(00)90707-6

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

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