LIPID MAPS

Structure Database (LMSD)

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Common Name

N-benzyl-13-oxo-9E,11E-octadecadienamide

Systematic Name

N-13-oxo-9E,11E-octadecadienoyl-benzylamine

Synonyms

LM ID

LMFA08020313

Formula

C₂₅H₃₇NO₂

Exact Mass

Calculate m/z

383.282429

Sum Composition

NA 25:7;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

Lepidium meyenii (#153348)

Magnoliopsida (#3398)

Macamides from wild ‘Maca’, Lepidium meyenii Walpers (Brassicaceae),
Phytochem Letts, 2014

DOI: 10.1016/j.phytol.2014.03.005

String Representations

InChiKey (Click to copy)

BJLMUUKAICQBIY-DPNVYNPJSA-N

InChi (Click to copy)

InChI=1S/C25H37NO2/c1-2-3-12-19-24(27)20-15-9-7-5-4-6-8-10-16-21-25(28)26-22-23-17-13-11-14-18-23/h7,9,11,13-15,17-18,20H,2-6,8,10,12,16,19,21-22H2,1H3,(H,26,28)/b9-7+,20-15+

SMILES (Click to copy)

C(C1C=CC=CC=1)NC(CCCCCCC/C=C/C=C/C(=O)CCCCC)=O

Other Databases

PubChem CID

21579712

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 1

Aromatic Rings 1

Rotatable Bonds 16

Van der Waals Molecular Volume 427.90

Topological Polar Surface Area 46.17

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 6.30

Molar Refractivity 118.04

Admin

Created at

16th Dec 2020

Updated at