Structure Database (LMSD)

Common Name
SFE 1:0/3:0
Systematic Name
Methyl propionate
Synonyms
  • WE(1:0/3:0)
LM ID
LMFA07010410
Formula
C4H8O2
Exact Mass
Calculate m/z
88.05243
Sum Composition
SFE 4:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Kheper (#205298)
Insecta (#50557)
Semiochemicals of the Scarabaeinae, IV*: Identification of an Attractant for the Dung Beetle Pachylomerus femoralis in the Abdominal Secretion of the Dung Beetle Kheper lamarcki,
Z Naturforsch C, 1995

String Representations

InChiKey (Click to copy)
RJUFJBKOKNCXHH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
SMILES (Click to copy)
O=C(CC)OC

Other Databases

HMDB ID
HMDB0030062
CHEBI ID
89873
PubChem CID
11124

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 92.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 0.57
Molar Refractivity 22.31

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Created at
-
Updated at
19th Feb 2025