Structure Database (LMSD)

O O
Common Name
Pentadecyl palmitoleate
Systematic Name
Pentadecyl 9Z-hexadecenoate
Synonyms
  • WE(15:0/16:1(9Z))
LM ID
LMFA07010019
Formula
C31H60O2
Exact Mass
Calculate m/z
464.45933
Sum Composition
WE 31:1
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)
SMPDUNNZRJZPTF-SQFISAMPSA-N
InChi (Click to copy)
InChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-30H2,1-2H3/b15-13-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCC

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
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
165720
PubChem CID
52922008

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 557.16
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.16
Molar Refractivity 147.36

Admin

Created at
-
Updated at
-