LIPID MAPS

Structure Database (LMSD)

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Common Name

FAHFA 16:1(9Z)/12O(FA 16:0)

Systematic Name

12-(9Z-hexadecenoyloxy)-hexadecanoic acid

Synonyms

12-POHPA

LM ID

LMFA07090055

Formula

C₃₂H₆₀O₄

Exact Mass

Calculate m/z

508.44916

Sum Composition

FAHFA 32:1;O

Abbrev Chains

FAHFA 16:1/16:0;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

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

DOI: 10.1016/j.cell.2014.09.035

String Representations

InChiKey (Click to copy)

XYUDXTNFYVPYQU-KHPPLWFESA-N

InChi (Click to copy)

InChI=1S/C32H60O4/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/h10-11,30H,3-9,12-29H2,1-2H3,(H,33,34)/b11-10-

SMILES (Click to copy)

C(CCCCCCCCCC(=O)O)C(OC(CCCCCCC/C=C\CCCCCC)=O)CCCC

Other Databases

HMDB ID

HMDB0112160

PubChem CID

126457358

Calculated Physicochemical Properties

Heavy Atoms 36

Rings 0

Aromatic Rings 0

Rotatable Bonds 29

Van der Waals Molecular Volume 589.40

Topological Polar Surface Area 63.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 10.62

Molar Refractivity 153.94

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Created at

Updated at

14th Jun 2023