Structure Database (LMSD)

Systematic Name
14,15-dihydroxy-8Z,10Z,12E-eicosatrienoic acid
Synonyms
LM ID
LMFA03020091
Formula
Exact Mass
Calculate m/z
338.245711
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Leukotrienes produced by incubation of dihomo-delta-linolenic acid with human polymorphonuclear leukocytes.,
Biochem Biophys Res Commun, 1983
Pubmed ID: 6309182

String Representations

InChiKey (Click to copy)
GYPIUQVLGXLZOB-ZNUKWKTHSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6,8,10,13,16,18-19,21-22H,2-3,5,7,9,11-12,14-15,17H2,1H3,(H,23,24)/b6-4-,10-8-,16-13+
SMILES (Click to copy)
C(CCCCCC/C=C\C=C/C=C/C(O)C(O)CCCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 24
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 379.16
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.96
Molar Refractivity 99.94

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Created at
26th Aug 2025
Updated at
26th Aug 2025