Structure Database (LMSD)

Common Name
Methyl heptadecanoate
Systematic Name
Methyl heptadecanoate
Synonyms
  • WE(1:0/17:0)
LM ID
LMFA07010473
Formula
C18H36O2
Exact Mass
Calculate m/z
284.27153
Sum Composition
SFE 18:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
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View NP-MRD ID(NMR) spectrum

Classification

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

Biological Context

Heptadecanoic acid methyl ester is an esterified form of heptadecanoic acid . It has been found in biodiesel produced by C. sorokiniana microalgae as well as in several types of animal fat biodiesel.1,2 Heptadecanoic acid methyl ester has been used as an internal standard for the quantification of fatty acid methyl esters in human plasma.3

This information has been provided by Cayman Chemical

References

1. Dong, T., Wang, J., Miao, C., et al. Two-step in situ biodiesel production from microalgae with high free fatty acid content. Bioresour. Technol. 136, 8-15 (2013).
2. Sander, A., Košćak, M.A., Kosir, D., et al. The influence of animal fat type and purification conditions on biodiesel quality. Renewable Energy 118, 752-760 (2018).
3. Aleryani, S.L., Cluette-Brown, J.E., Khan, Z.A., et al. Fatty acid methyl esters are detectable in the plasma and their presence correlates with liver dysfunction. Clin. Chim. Acta 359(1-2), 141-149 (2005).

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
HUEBIMLTDXKIPR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCC)OC

Other Databases

CHEBI ID
136920
PubChem CID
15609
Cayman ID
26723

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.03
Molar Refractivity 86.95

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Created at
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Updated at
6th Jun 2022