Structure Database (LMSD)

Systematic Name
14R,17R,18R-trihydroxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
Synonyms
LM ID
LMFA03000029
Status
Active
Exact Mass
Calculate m/z
352.224975
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)
FHKYIIAOBKDGDK-AMWNYCQBSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-18(22)19(23)16-15-17(21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h3,5-6,8-9,11,15-19,21-23H,2,4,7,10,12-14H2,1H3,(H,24,25)/b5-3-,8-6-,11-9-,16-15+/t17-,18-,19-/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/[C@@H](O)[C@H](O)CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cylindrotheca closterium (#2856)
Bacillariophyceae (#33849)
Identification and structure determination of novel anti-inflammatory mediator resolvin E3, 17,18-dihydroxyeicosapentaenoic acid.,
J Biol Chem, 2012
Pubmed ID: 22275352

Calculated Physicochemical Properties

Heavy Atoms 25
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 385.31
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.99
Molar Refractivity 101.75

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Created at
18th Jul 2021
Updated at
29th Jul 2021