LIPID MAPS

Structure Database (LMSD)

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Common Name

7,17-DiHDPA

Systematic Name

7S,17S-dihydroxy-8E,10Z,13Z,15E,19Z-Docosapentaenoic acid

Synonyms

7(S),17(S)-hydroxy DPA

LM ID

LMFA04030019

Formula

C₂₂H₃₄O₄

Exact Mass

Calculate m/z

362.245711

Sum Composition

FA 22:5;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Oxylipin Standard

String Representations

InChiKey (Click to copy)

JUBMLVBCKBUAQW-STWMVWSJSA-N

InChi (Click to copy)

InChI=1S/C22H34O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-8,10-12,16-17,20-21,23-24H,2,4,9,13-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,16-11+,17-12+/t20-,21+/m0/s1

SMILES (Click to copy)

C(CCCCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)(=O)O

Other Databases

PubChem CID

91886114

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

19th Dec 2024

Updated at