LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2-Phenylethyl 11Z-hexadecenoate

Synonyms

LM ID

LMFA07011187

Formula

C₂₄H₃₈O₂

Exact Mass

Calculate m/z

358.28718

Sum Composition

WE 24:5

Status

Curated

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)

SICIUJCAQVBMHR-WAYWQWQTSA-N

InChi (Click to copy)

InChI=1S/C24H38O2/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/h5-6,14-16,18-19H,2-4,7-13,17,20-22H2,1H3/b6-5-

SMILES (Click to copy)

C(CCCCCCCCC/C=C\CCCC)(=O)OCCC1=CC=CC=C1

Other Databases

PubChem CID

129866813

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings 1

Rotatable Bonds 17

Van der Waals Molecular Volume 404.88

Topological Polar Surface Area 26.30

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 7.31

Molar Refractivity 111.81

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Created at

6th Oct 2021

Updated at