LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2'-hydroxy-N-(isobutyl)-tetradeca-2E,4E,8Z-trienamide

Synonyms

LM ID

LMFA08020322

Formula

C₁₈H₃₁NO₂

Exact Mass

Calculate m/z

293.235479

Sum Composition

NA 18:3;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Zanthoxylum bungeanum (#328401)

Magnoliopsida (#3398)

Alkylamides from pericarps of Zanthoxylum bungeanum,
Phytochemistry, 1997

DOI: 10.1016/S0031-9422(97)84398-1

String Representations

InChiKey (Click to copy)

OMYRBCZBTQDJHF-RFYAXJIXSA-N

InChi (Click to copy)

InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+

SMILES (Click to copy)

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

Other Databases

PubChem CID

5316694

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 0

Aromatic Rings 0

Rotatable Bonds 11

Van der Waals Molecular Volume 337.98

Topological Polar Surface Area 49.33

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 4.47

Molar Refractivity 91.11

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Created at

23rd Apr 2021

Updated at