Structure Database (LMSD)

Common Name
HOOA lactone
Systematic Name
6E,8-oxo-octen-5-olide
Synonyms
  • HOOA delta-lactone
  • 5-Hydroxy-8-oxo-6-octenoic acid lactone
LM ID
LMFA07040114
Formula
C8H10O3
Exact Mass
Calculate m/z
154.062995
Sum Composition
FA 8:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lysophosphatidylcholine is generated by spontaneous deacylation of oxidized phospholipids.,
Chem Res Toxicol, 2011
Pubmed ID: 20973507

String Representations

InChiKey (Click to copy)
RCJOKQHNYYSHIB-DUXPYHPUSA-N
InChi (Click to copy)
InChI=1S/C8H10O3/c9-6-2-4-7-3-1-5-8(10)11-7/h2,4,6-7H,1,3,5H2/b4-2+
SMILES (Click to copy)
C1(CCCC(=O)O1)/C=C/C=O

Other Databases

PubChem CID
12653568

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 153.05
Topological Polar Surface Area 45.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 1.12
Molar Refractivity 39.45

Admin

Created at
30th May 2020
Updated at
30th May 2020