LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

FAHFA 16:1(9Z)/13O(FA 16:0)

Systematic Name

13-(9Z-hexadecenoyloxy)-hexadecanoic acid

Synonyms

13-POHPA

LM ID

LMFA07090056

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

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

XHCTUKCCZBNIDQ-KTKRTIGZSA-N

InChi (Click to copy)

InChI=1S/C32H60O4/c1-3-5-6-7-8-9-10-11-12-16-19-22-25-29-32(35)36-30(26-4-2)27-23-20-17-14-13-15-18-21-24-28-31(33)34/h9-10,30H,3-8,11-29H2,1-2H3,(H,33,34)/b10-9-

SMILES (Click to copy)

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

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

HMDB0112161

PubChem CID

126457359

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