Structure Database (LMSD)

Common Name
10-Nitrolinoleic acid
Systematic Name
10-nitro-9Z,12Z-octadecadienoic acid
Synonyms
  • C10-LNO2
LM ID
LMFA01120001
Status
Active
Exact Mass
Calculate m/z
325.225309
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LELVHAQTWXTCLY-XYWKCAQWSA-N
InChi (Click to copy)
InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+
SMILES (Click to copy)
OC(CCCCCCC/C=C(/[N+]([O-])=O)\C/C=C\CCCCC)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Red cell membrane and plasma linoleic acid nitration products: synthesis, clinical identification, and quantitation.,
Proc Natl Acad Sci U S A, 2004
Pubmed ID: 15273286

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 355.56
Topological Polar Surface Area 80.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 5.49
Molar Refractivity 92.93

Admin

Created at
-
Updated at
14th May 2021