Structure Database (LMSD)

O O
Common Name
Lauryl palmitoleate
Systematic Name
dodecanyl 9Z-hexadecenoate
Synonyms
  • WE(12:0/16:1(9Z))
  • dodecyl 9Z-hexadecenoate
LM ID
LMFA07010016
Formula
C28H54O2
Exact Mass
Calculate m/z
422.41238
Sum Composition
WE 28:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
CDXFYPWJGOODOG-SQFISAMPSA-N
InChi (Click to copy)
InChI=1S/C28H54O2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28(29)30-27-25-23-21-19-14-12-10-8-6-4-2/h13,15H,3-12,14,16-27H2,1-2H3/b15-13-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Comprehensive analysis of the major lipid classes in sebum by rapid resolution high-performance liquid chromatography and electrospray mass spectrometry.,
J Lipid Res, 2010
Pubmed ID: 20719760

Other Databases

CHEBI ID
84155
PubChem CID
16219829

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 505.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 9.99
Molar Refractivity 133.51

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Created at
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Updated at
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