LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2-Phenylethyl hexadecanoate

Synonyms

LM ID

LMFA07011188

Formula

C₂₄H₄₀O₂

Exact Mass

Calculate m/z

360.30283

Sum Composition

WE 24:4

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Bicyclus martius (#887844)

Insecta (#50557)

Identification and biosynthesis of novel male specific esters in the wings of the tropical butterfly, Bicyclus martius sanaos.,
J Chem Ecol, 2014

Pubmed ID: 24894159

DOI: 10.1007/s10886-014-0452-y

String Representations

InChiKey (Click to copy)

PMYIGBNCUHWDMR-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(25)26-22-21-23-18-15-14-16-19-23/h14-16,18-19H,2-13,17,20-22H2,1H3

SMILES (Click to copy)

C(CCCCCCCCCCCCCCC)(=O)OCCC1=CC=CC=C1

Other Databases

PubChem CID

15100717

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings 1

Rotatable Bonds 18

Van der Waals Molecular Volume 407.52

Topological Polar Surface Area 26.30

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 7.54

Molar Refractivity 111.91

Admin

Created at

6th Oct 2021

Updated at