LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Dodeca-2E,4E-dienoic acid 4-hydroxy-2-phenylethylamide

Synonyms

LM ID

LMFA08020370

Formula

C₂₀H₂₉NO₂

Exact Mass

Calculate m/z

315.219829

Sum Composition

NA 20:6;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Anacyclus pyrethrum (#159698)

Magnoliopsida (#3398)

Alkamides from Anacyclus pyrethrum L. and Their in Vitro Antiprotozoal Activity.,
Molecules, 2017

Pubmed ID: 28498323

DOI: 10.3390/molecules22050796

String Representations

InChiKey (Click to copy)

VVRNYAJXAUQHEN-BNFZFUHLSA-N

InChi (Click to copy)

InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-11-20(23)21-17-16-18-12-14-19(22)15-13-18/h8-15,22H,2-7,16-17H2,1H3,(H,21,23)/b9-8+,11-10+

SMILES (Click to copy)

C(/C=C/C=C/CCCCCCC)(=O)NCCC1=CC=C(O)C=C1

Other Databases

CHEBI ID

183416

PubChem CID

45359729

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings 1

Rotatable Bonds 11

Van der Waals Molecular Volume 344.04

Topological Polar Surface Area 49.33

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 4.81

Molar Refractivity 96.97

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Created at

25th Oct 2021

Updated at