Structure Database (LMSD)

Common Name
Myristolel palmitoleate
Systematic Name
9Z-tetradecenyl 9Z-hexadecenoate
Synonyms
  • WE(14:1(9Z)/16:1(9Z))
LM ID
LMFA07010097
Formula
C30H56O2
Exact Mass
Calculate m/z
448.42803
Sum Composition
WE 30:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Structural characterization of wax esters by electron ionization mass spectrometry.,
J Lipid Res, 2012
Pubmed ID: 22058425

String Representations

InChiKey (Click to copy)
MFGDTEVMOTZMGZ-VJQXEWNVSA-N
InChi (Click to copy)
InChI=1S/C30H56O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12-13,15H,3-9,11,14,16-29H2,1-2H3/b12-10-,15-13-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCC/C=C\CCCC

Other Databases

CHEBI ID
165690
PubChem CID
56935928

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 537.22
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 10.55
Molar Refractivity 142.65

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Updated at
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