Structure Database (LMSD)
Common Name
11,17-diHDoHE
Systematic Name
11S,17S-dihydroxy-4Z,7Z,9E,13Z,15E,19Z-docosahexaenoic acid
Synonyms
LM ID
LMFA04000102
Formula
Exact Mass
Calculate m/z
360.23006
Sum Composition
Status
Active
3D model of 11,17-diHDoHE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sphingopyxis macrogoltabida
(#33050)
Alphaproteobacteria
(#28211)
Regioselectivity of an arachidonate 9S-lipoxygenase from Sphingopyxis macrogoltabida that biosynthesizes 9S,15S- and 11S,17S-dihydroxy fatty acids from C20 and C22 polyunsaturated fatty acids.,
Biochim Biophys Acta Mol Cell Biol Lipids, 2022
Biochim Biophys Acta Mol Cell Biol Lipids, 2022
Pubmed ID:
34902567
String Representations
InChiKey (Click to copy)
KYEQLLXAHDEAMP-XGTWDWJNSA-N
InChi (Click to copy)
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-9-13-18-21(24)16-11-7-5-4-6-8-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
SMILES (Click to copy)
C(CC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C\CC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
Aromatic Rings
Rotatable Bonds
14
Van der Waals Molecular Volume
405.84
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.06
Molar Refractivity
108.89
Admin
Created at
14th Feb 2022
Updated at
14th Feb 2022