Structure Database (LMSD)

Common Name
(+/-)14,15-DiHETrE
Systematic Name
14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoic acid
Synonyms
LM ID
LMFA03050010
Formula
C20H34O4
Exact Mass
Calculate m/z
338.24571
Sum Composition
FA 20:3;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
SYAWGTIVOGUZMM-ILYOTBPNSA-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/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-
SMILES (Click to copy)
C(/C=C\C/C=C\CCCC(=O)O)/C=C\CC(O)C(O)CCCCC

Other Databases

KEGG ID
C14775
HMDB ID
HMDB0002265
CHEBI ID
63966
LIPIDBANK ID
DFA8109
PubChem CID
5283147
SwissLipids ID
SLM:000501364

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
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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Updated at
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