LIPID MAPS

Structure Database (LMSD)

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Common Name

Lanyuamide II

Systematic Name

N-(isobutyl)-12-oxo-tetradeca-2E,4E,8Z-dienamide

Synonyms

(2E,4E,8Z)-N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide

LM ID

LMFA08020416

Formula

C₁₈H₂₉NO₂

Exact Mass

Calculate m/z

291.219829

Sum Composition

NA 18:4;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

Zanthoxylum (#67937)

Magnoliopsida (#3398)

Isobutylamides from the fruit of Zanthoxylum integrifoliolum,
Phytochemistry, 1999

DOI: 10.1016/S0031-9422(99)00175-2

String Representations

InChiKey (Click to copy)

FUSIHPXPVQSRQH-RLMPMMINSA-N

InChi (Click to copy)

InChI=1S/C18H29NO2/c1-4-17(20)13-11-9-7-5-6-8-10-12-14-18(21)19-15-16(2)3/h7-10,12,14,16H,4-6,11,13,15H2,1-3H3,(H,19,21)/b9-7-,10-8+,14-12+

SMILES (Click to copy)

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

Other Databases

PubChem CID

5318940

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

Rotatable Bonds 11

Van der Waals Molecular Volume 335.34

Topological Polar Surface Area 46.17

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 4.25

Molar Refractivity 89.52

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Created at

22nd Dec 2023

Updated at