Structure Database (LMSD)

Common Name
19,20-DiHDPE
Systematic Name
(+/-)-19,20-dihydroxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid
Synonyms
  • 19,20-DiHDPA
LM ID
LMFA04000043
Formula
C22H34O4
Exact Mass
Calculate m/z
362.24571
Sum Composition
FA 22:5;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]
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)
FFXKPSNQCPNORO-MBYQGORISA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h3-4,7-10,13-16,20-21,23-24H,2,5-6,11-12,17-19H2,1H3,(H,25,26)/b4-3-,9-7-,10-8-,15-13-,16-14-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)CC)(=O)O

Other Databases

HMDB ID
HMDB0010214
CHEBI ID
72657
PubChem CID
16061148

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 408.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.29
Molar Refractivity 108.98

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Created at
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Updated at
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