LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3R-hydroxy-4R-decanolide

Synonyms

LM ID

LMFA07040138

Formula

C₁₀H₁₈O₃

Exact Mass

Calculate m/z

186.125595

Sum Composition

FA 10:1;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Bactrocera tsuneonis (#104691)

Insecta (#50557)

Predominant accumulation of a 3-hydroxy-γ-decalactone in the male rectal gland complex of the Japanese orange fly, Bactrocera tsuneonis.,
Biosci Biotechnol Biochem, 2020

Pubmed ID: 31516064

String Representations

InChiKey (Click to copy)

HFYZTGBQDXZSHJ-RKDXNWHRSA-N

InChi (Click to copy)

InChI=1S/C10H18O3/c1-2-3-4-5-6-9-8(11)7-10(12)13-9/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1

SMILES (Click to copy)

[C@@H]1(CCCCCC)[C@H](O)CC(=O)O1

Other Databases

PubChem CID

11298375

Calculated Physicochemical Properties

Heavy Atoms 13

Rings 1

Aromatic Rings 0

Rotatable Bonds 5

Van der Waals Molecular Volume 192.93

Topological Polar Surface Area 48.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 2.21

Molar Refractivity 50.29

Admin

Created at

21st Oct 2020

Updated at