Structure Database (LMSD)
Common Name
FAHFA(18:1(9Z)/11-O-18:0)
Systematic Name
11-(9Z-octadecenoyloxy)-octadecanoic acid
Synonyms
- 11-OAHSA
LM ID
LMFA07090030
Status
Active
Exact Mass
Calculate m/z
564.51176
Formula
Abbrev
Abbrev Chains
FAHFA 18:1/11-O-18:0
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KPPODOBNUWGHGC-YPKPFQOOSA-N
InChi (Click to copy)
InChI=1S/C36H68O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-29-33-36(39)40-34(30-26-22-8-6-4-2)31-27-23-19-18-20-24-28-32-35(37)38/h13-14,34H,3-12,15-33H2,1-2H3,(H,37,38)/b14-13-
SMILES (Click to copy)
C(CCCCCCCCC(=O)O)C(OC(CCCCCCC/C=C\CCCCCCCC)=O)CCCCCCC
References
Reference
Discovery of a class of endogenous mammalian lipids with anti-diabetic and anti-inflammatory effects. Yore MM, Syed I, Moraes-Vieira PM, Zhang T, Herman MA, Homan EA, Patel RT, Lee J, Chen S, Peroni OD, Dhaneshwar AS, Hammarstedt A, Smith U, McGraw TE, Saghatelian A, Kahn BB. Cell. 2014 Oct 9;159(2):318-32. doi: 10.1016/j.cell.2014.09.035.
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Discovery of a class of endogenous mammalian lipids with anti-diabetic and anti-inflammatory effects,
Cell, 2014
Cell, 2014
Pubmed ID:
25303528
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
0
Aromatic Rings
0
Rotatable Bonds
33
Van der Waals Molecular Volume
658.60
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
12.18
Molar Refractivity
172.41
Admin
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Updated at
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