Structure Database (LMSD)

Common Name
FAHFA 16:0/12O(FA 16:0)
Systematic Name
12-hexadecanoyloxy-hexadecanoic acid
Synonyms
  • 12-PAHPA
LM ID
LMFA07090039
Formula
C32H62O4
Exact Mass
Calculate m/z
510.46481
Sum Composition
FAHFA 32:0;O
Abbrev Chains
FAHFA 16:0/16:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acid estolides [FA0709]

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

String Representations

InChiKey (Click to copy)
HXDZEKSDFMQDDU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H62O4/c1-3-5-7-8-9-10-11-12-13-14-19-22-25-29-32(35)36-30(26-6-4-2)27-23-20-17-15-16-18-21-24-28-31(33)34/h30H,3-29H2,1-2H3,(H,33,34)
SMILES (Click to copy)
C(CCCCCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCC)=O)CCCC

Other Databases

HMDB ID
HMDB0112126
PubChem CID
126457342

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 592.04
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 10.84
Molar Refractivity 154.03

Admin

Created at
-
Updated at
14th Jun 2023