Structure Database (LMSD)

Common Name
3R-HETE
Systematic Name
3R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
  • 3R-hydroxyarachidonic acid
LM ID
LMFA03060023
Formula
Exact Mass
Calculate m/z
320.235145
Sum Composition
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dipodascopsis uninucleata (#27313)
Lipomycetes (#3243770)
Evidence for the mitochondrial biosynthesis of 3R-hydroxy-5Z,8Z,11Z,1 4Z-eicosatetraenoic acid in the yeast Dipodascopsis uninucleata.,
Lipids, 2000
Pubmed ID: 11132180

String Representations

InChiKey (Click to copy)
HVJLGJXEWCPPDB-VXFQMENQSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h6-7,9-10,12-13,15-16,19,21H,2-5,8,11,14,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-/t19-/m1/s1
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\C[C@@H](O)CC(=O)O

Other Databases

CHEBI ID
LIPIDBANK ID
DFA8127
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

Admin

Created at
-
Updated at
15th Oct 2024