Structure Database (LMSD)

Common Name
octadecyl heptadecanoate
Systematic Name
octadecyl heptadecanoate
Synonyms
  • WE(18:0/17:0)
LM ID
LMFA07010006
Formula
C35H70O2
Exact Mass
Calculate m/z
522.53758
Sum Composition
WE 35:0
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]

References

Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands

String Representations

InChiKey (Click to copy)
CEQDKMZQTXZMPE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H70O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-37-35(36)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
SMILES (Click to copy)
C(C)CCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O

Other Databases

CHEBI ID
191282
PubChem CID
42607328

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 629.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.95
Molar Refractivity 165.92

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Created at
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Updated at
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