LIPID MAPS

Structure Database (LMSD)

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Common Name

FAHFA 16:1(9Z)/5O(FA 16:0)

Systematic Name

5-(9Z-hexadecenoyloxy)-hexadecanoic acid

Synonyms

5-POHPA

LM ID

LMFA07090049

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

Main

Classification

String Representations

InChiKey (Click to copy)

SVLKUGBXYAQXIT-YPKPFQOOSA-N

InChi (Click to copy)

InChI=1S/C32H60O4/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/h13-14,30H,3-12,15-29H2,1-2H3,(H,33,34)/b14-13-

SMILES (Click to copy)

C(CCC(=O)O)C(OC(CCCCCCC/C=C\CCCCCC)=O)CCCCCCCCCCC

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

Other Databases

HMDB ID

HMDB0112154

PubChem CID

126457352

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

Admin

Created at

Updated at

14th Jun 2023