Structure Database (LMSD)

Common Name
SFE 6:1(3Z)/4:0(3OH[R])
Systematic Name
3Z-Hexenyl 3R-hydroxybutanoate
Synonyms
  • WE(6:1(3Z)/4:0(3OH[R]))
LM ID
LMFA07010642
Formula
C10H18O3
Exact Mass
Calculate m/z
186.125595
Sum Composition
SFE 10:1;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Eucerceris (#421431)
Insecta (#50557)
(Z)-3-hexenyl (R)-3-hydroxybutanoate: a male specific compound in three North American decorator wasps Eucerceris rubripes, E. conata and E. tricolor.,
J Chem Ecol, 2001
Pubmed ID: 11504038

String Representations

InChiKey (Click to copy)
YCRZFZCDOSZRKH-XRVBUDJMSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9,11H,3,6-8H2,1-2H3/b5-4-/t9-/m1/s1
SMILES (Click to copy)
O=C(C[C@H](O)C)OCC/C=C\CC

Other Databases

CHEBI ID
137763
PubChem CID
56936021

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 202.65
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.23
Molar Refractivity 52.31

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Created at
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Updated at
21st Jan 2025