Structure Database (LMSD)

Common Name
SFE 7:1(2E)/2:0
Systematic Name
2E-Heptenyl acetate
Synonyms
  • SFE(7:1(2E)/2:0)
LM ID
LMFA07010185
Formula
C9H16O2
Exact Mass
Calculate m/z
156.11503
Sum Composition
SFE 9:1
Status
Active
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oncopeltus fasciatus (#7536)
Insecta (#50557)
Pheromones and colonization: reassessment of the milkweed bug migration model (Heteroptera: Lygaeidae: Lygaeinae),
Chemoecology, 1999

String Representations

InChiKey (Click to copy)
AWCPMVVOGVEPRC-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCC

Other Databases

HMDB ID
HMDB0032307
CHEBI ID
171767
PubChem CID
5363203

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 176.56
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.58
Molar Refractivity 45.79

Admin

Created at
-
Updated at
10th Jul 2023