Structure Database (LMSD)

Common Name
HOHA lactone
Systematic Name
5E,7-oxo-hepten-4-olide
Synonyms
  • HOHA gamma-lactone
  • 4-Hydroxy-7-oxo-5-heptenoic acid lactone
LM ID
LMFA07040113
Formula
C7H8O3
Exact Mass
Calculate m/z
140.047345
Sum Composition
FA 7:3;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)
MGDPEFRLGBFRFH-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C7H8O3/c8-5-1-2-6-3-4-7(9)10-6/h1-2,5-6H,3-4H2/b2-1+
SMILES (Click to copy)
O1C(/C=C/C=O)CCC1=O

Other Databases

PubChem CID
11062468

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 1
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 135.75
Topological Polar Surface Area 45.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 0.73
Molar Refractivity 34.83

Admin

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