Structure Database (LMSD)

Common Name
Methyl octadecanoate
Systematic Name
Methyl octadecanoate
Synonyms
  • WE(1:0/18:0)
LM ID
LMFA07010474
Formula
C19H38O2
Exact Mass
Calculate m/z
298.28718
Sum Composition
SFE 19:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
HPEUJPJOZXNMSJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCC)OC

Other Databases

HMDB ID
HMDB0034154
CHEBI ID
69188
PubChem CID
8201
Cayman ID
20609

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.42
Molar Refractivity 91.56

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Created at
-
Updated at
6th Jun 2022