Structure Database (LMSD)

Common Name
methyl oleate
Systematic Name
methyl (9Z)-octadec-9-enoate
Synonyms
  • (Z)-9-octadecenoic acid, methyl ester
  • methyl (Z)-9-octadecenoate
  • methyl cis-9-octadecenoate
  • methyl-cis-oleate
LM ID
LMFA07010965
Formula
C19H36O2
Exact Mass
Calculate m/z
296.27153
Sum Composition
SFE 19:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

String Representations

InChiKey (Click to copy)
QYDYPVFESGNLHU-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
SMILES (Click to copy)
C(=C/CCCCCCCC)/CCCCCCCC(OC)=O

Other Databases

CHEBI ID
27542
PubChem CID
5364509
Cayman ID
20604

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 349.56
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.20
Molar Refractivity 91.47

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Created at
-
Updated at
6th Jun 2022