Structure Database (LMSD)
Common Name
Heneicosanyl palmitoleate
Systematic Name
Heneicosanyl 9Z-hexadecenoate
Synonyms
- WE(21:0/16:1(9Z))
- Heneicosyl 9Z-hexadecenoate
3D model of Heneicosanyl palmitoleate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
J Lipid Res, 2010
Pubmed ID:
20719760
DOI:
10.1194/jlr.D008391
String Representations
InChiKey (Click to copy)
PXPRWWKODCVQJY-PEZBUJJGSA-N
InChi (Click to copy)
InChI=1S/C37H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-39-37(38)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-36H2,1-2H3/b16-14-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
0
Aromatic Rings
0
Rotatable Bonds
34
Van der Waals Molecular Volume
660.96
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
13.50
Molar Refractivity
175.06
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