Structure Database (LMSD)

Common Name
15-isoLG hydroxylactam-ethanolamine
Systematic Name
Synonyms
  • IsoLG-Etn
LM ID
LMFA03100038
Formula
C22H35NO6
Exact Mass
Calculate m/z
409.246439
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Levuglandins [FA0310]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Isolevuglandin-modified phosphatidylethanolamine is metabolized by NAPE-hydrolyzing phospholipase D.,
J Lipid Res, 2013
Pubmed ID: 24018423

String Representations

InChiKey (Click to copy)
HDLBUPJKNAITHX-FCBYNYORSA-N
InChi (Click to copy)
InChI=1S/C22H35NO6/c1-3-4-7-10-17(25)13-14-18-19(11-8-5-6-9-12-20(26)27)22(2,29)23(15-16-24)21(18)28/h5,8,13-14,17,24-25,29H,3-4,6-7,9-12,15-16H2,1-2H3,(H,26,27)/b8-5-,14-13+
SMILES (Click to copy)
OCCN1C(=O)C(/C=C/C(O)CCCCC)=C(C1(O)C)C/C=C\CCCC(O)=O

Other Databases

PubChem CID
171118792

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 427.34
Topological Polar Surface Area 118.30
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.67
Molar Refractivity 112.99

Admin

Created at
15th Apr 2021
Updated at
15th Apr 2021