Structure Database (LMSD)
Common Name
12-KHT
Systematic Name
12-oxo-5Z,8E,10E-heptadecatrienoic acid
Synonyms
- 12-oxoHT
3D model of 12-KHT
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
String Representations
InChiKey (Click to copy)
BEHRKNVAYQNKGG-FQWDWNLFSA-N
InChi (Click to copy)
InChI=1S/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+
SMILES (Click to copy)
C(=C/C/C=C/C=C/C(=O)CCCCC)/CCCC(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
315.83
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.45
Molar Refractivity
82.67
Admin
Created at
24th Feb 2021
Updated at
24th Feb 2021