Structure Database (LMSD)

Common Name
FAHFA(16:0/5-O-16:0)
Systematic Name
5-hexadecanoyloxy-hexadecanoic acid
Synonyms
  • 5-PAHPA
LM ID
LMFA07090033
Status
Active
Exact Mass
Calculate m/z
510.46481
Formula
C32H62O4
Abbrev
FAHFA 32:1;O
Abbrev Chains
FAHFA 16:0/5-O-16:0
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

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

String Representations

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

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
Pubmed ID: 25303528

Other Databases

HMDB ID
HMDB0112114
PubChem CID
126457337

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

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Updated at
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