LIPID MAPS

Structure Database (LMSD)

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Common Name

delta4-dinor-iso-OPDA

Systematic Name

6-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]-4Z-hexenoic acid

Synonyms

Delta4-dinor-iso-12-oxo-phytodienoic acid
delta4-dn-iso-OPDA

LM ID

LMFA02010023

Formula

C₁₆H₂₂O₃

Exact Mass

Calculate m/z

262.156895

Sum Composition

FA 16:5;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Marchantia polymorpha (#3197)

Marchantiopsida (#186770)

Ligand diversity contributes to the full activation of the jasmonate pathway in Marchantia polymorpha.,
Proc Natl Acad Sci U S A, 2022

Pubmed ID: 36037336

String Representations

InChiKey (Click to copy)

KBQRTKOXXDXPKW-GLIMQPGKSA-N

InChi (Click to copy)

InChI=1S/C16H22O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3-6H,2,7-12H2,1H3,(H,18,19)/b5-3-,6-4-

SMILES (Click to copy)

C(/C=C\CCC(=O)O)C1=C(C/C=C\CC)C(=O)CC1

Other Databases

PubChem CID

171116389

Calculated Physicochemical Properties

Heavy Atoms 19

Rings 1

Aromatic Rings

Rotatable Bonds 8

Van der Waals Molecular Volume 286.17

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 3.81

Molar Refractivity 75.94

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Created at

16th Dec 2022

Updated at