LIPID MAPS

Structure Database (LMSD)

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Common Name

16,17-DiHDPE

Systematic Name

(+/-)-16,17-dihydroxy-4Z,7Z,10Z,13Z,19Z-docosapentaenoic acid

Synonyms

LM ID

LMFA04000042

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

Main

Classification

String Representations

InChiKey (Click to copy)

YXQCSWUATWXVGK-ZYADFMMDSA-N

InChi (Click to copy)

InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20-21,23-24H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5-,8-6-,13-11-,14-3-,15-12-

SMILES (Click to copy)

C(CC/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)C/C=C\CC)(=O)O

References

Other Databases

CHEBI ID

165249

PubChem CID

16061147

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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