Structure Database (LMSD)

OH O O O
Common Name
FAHFA 16:1(9Z)/9O(FA 18:0)
Systematic Name
9-(9Z-hexadecenoyloxy)-octadecanoic acid
Synonyms
  • 9-POHSA
LM ID
LMFA07090020
Formula
C34H64O4
Exact Mass
Calculate m/z
536.48046
Sum Composition
FAHFA 34:1;O
Abbrev Chains
FAHFA 16:1/18:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acid estolides [FA0709]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
VCXRHEIVUHPWLL-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C34H64O4/c1-3-5-7-9-11-12-13-14-15-16-18-23-27-31-34(37)38-32(28-24-20-17-10-8-6-4-2)29-25-21-19-22-26-30-33(35)36/h12-13,32H,3-11,14-31H2,1-2H3,(H,35,36)/b13-12-
SMILES (Click to copy)
C(CCCCCCC(=O)O)C(OC(CCCCCCC/C=C\CCCCCC)=O)CCCCCCCCC

References

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
Pubmed ID: 25303528

Other Databases

HMDB ID
HMDB0112108
CHEBI ID
137084
PubChem CID
126456515
Cayman ID
17040

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 624.00
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 11.40
Molar Refractivity 163.17

Admin

Created at
-
Updated at
14th Jun 2023