Structure Database (LMSD)

Common Name
SFE 13:0/2:0
Systematic Name
Tridecyl acetate
Synonyms
  • SFE(13:0/2:0)
LM ID
LMFA07010282
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
SFE 15:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ourebia ourebi (#59536)
Mammalia (#40674)
Mammalian exocrine secretions: IX. Constituents of preorbital secretion of oribi,Ourebia, ourebi.,
J Chem Ecol, 1995
Pubmed ID: 24234526
Alligator sinensis (#38654)
Lipids from the paracloacal glands of the chinese alligator (Alligator sinensis).,
Lipids, 1993
Pubmed ID: 27519768

String Representations

InChiKey (Click to copy)
ZDRNMODJXFOYMN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-14H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCCCC

Other Databases

CHEBI ID
196021
PubChem CID
14071

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.15
Molar Refractivity 73.58

Admin

Created at
-
Updated at
7th Jul 2023