LIPID MAPS

Structure Database (LMSD)

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Common Name

N-benzyl-9-oxo-10E,12E-octadecadienamide

Systematic Name

N-9-oxo-10E,12E-octadecadienoyl-benzylamine

Synonyms

LM ID

LMFA08020309

Formula

C₂₅H₃₇NO₂

Exact Mass

Calculate m/z

383.282429

Sum Composition

NA 25:7;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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)

CDRHAUJGAKTFJC-RASMMMHTSA-N

InChi (Click to copy)

InChI=1S/C25H37NO2/c1-2-3-4-5-6-8-14-19-24(27)20-15-9-7-10-16-21-25(28)26-22-23-17-12-11-13-18-23/h6,8,11-14,17-19H,2-5,7,9-10,15-16,20-22H2,1H3,(H,26,28)/b8-6+,19-14+

SMILES (Click to copy)

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

Other Databases

PubChem CID

87840170

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