Structure Database (LMSD)
Common Name
FAHFA 18:2/13O(FA 18:2)
Systematic Name
(9Z,11E)-13-(9Z,12Z-octadecadienoyloxy)-octadecadienoic acid
Synonyms
- 13-LAHLA
LM ID
LMFA07090100
Formula
Exact Mass
Calculate m/z
558.46481
Sum Composition
Abbrev Chains
FAHFA 18:2/18:2;O
Status
Active
3D model of FAHFA 18:2/13O(FA 18:2)
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
Homo sapiens
(#9606)
Mammalia
(#40674)
Linoleic acid esters of hydroxy linoleic acids are anti-inflammatory lipids found in plants and mammals.,
J Biol Chem, 2019
J Biol Chem, 2019
Pubmed ID:
31152059
Avena sativa
(#4498)
Magnoliopsida
(#3398)
Linoleic acid esters of hydroxy linoleic acids are anti-inflammatory lipids found in plants and mammals.,
J Biol Chem, 2019
J Biol Chem, 2019
Pubmed ID:
31152059
String Representations
InChiKey (Click to copy)
PVZXDHZNHJSJQO-UQZHAUBMSA-N
InChi (Click to copy)
InChI=1S/C36H62O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-36(39)40-34(30-26-6-4-2)31-27-23-20-17-16-18-21-24-28-32-35(37)38/h9-10,12-13,20,23,27,31,34H,3-8,11,14-19,21-22,24-26,28-30,32-33H2,1-2H3,(H,37,38)/b10-9-,13-12-,23-20-,31-27+
SMILES (Click to copy)
O(C(CCCCC)/C=C/C=C\CCCCCCCC(=O)O)C(CCCCCCC/C=C\C/C=C\CCCCC)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
0
Aromatic Rings
0
Rotatable Bonds
30
Van der Waals Molecular Volume
650.68
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
11.51
Molar Refractivity
172.13
Admin
Created at
16th Apr 2020
Updated at
14th Jun 2023