Structure Database (LMSD)

Common Name
Palmityl palmitoleate
Systematic Name
hexadecanyl 9Z-hexadecenoate
Synonyms
  • WE(16:0/16:1(9Z))
  • hexadecyl 9Z-hexadecenoate
LM ID
LMFA07010020
Formula
C32H62O2
Exact Mass
Calculate m/z
478.47498
Sum Composition
WE 32:1
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
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

String Representations

InChiKey (Click to copy)
YEHRXIRYXGNEDS-PEZBUJJGSA-N
InChi (Click to copy)
InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-31H2,1-2H3/b16-14-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
75629
PubChem CID
5363258
SwissLipids ID
SLM:000389276

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 574.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.55
Molar Refractivity 151.98

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Updated at
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