LIPID MAPS

Structure Database (LMSD)

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Common Name

FAHFA 16:1(9Z)/12O(FA 18:0)

Systematic Name

12-(9Z-hexadecenoyloxy)-octadecanoic acid

Synonyms

12-POHSA

LM ID

LMFA07090023

Formula

C₃₄H₆₄O₄

Exact Mass

Calculate m/z

536.48046

Sum Composition

FAHFA 34:1;O

Abbrev Chains

FAHFA 16:1/18:0;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)

XSYATLPMKFNWBI-QXMHVHEDSA-N

InChi (Click to copy)

InChI=1S/C34H64O4/c1-3-5-7-9-10-11-12-13-14-15-20-23-27-31-34(37)38-32(28-24-8-6-4-2)29-25-21-18-16-17-19-22-26-30-33(35)36/h11-12,32H,3-10,13-31H2,1-2H3,(H,35,36)/b12-11-

SMILES (Click to copy)

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

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

HMDB0112117

CHEBI ID

137085

PubChem CID

126456517

Cayman ID

17105

Calculated Physicochemical Properties

Heavy Atoms 38

Rings 0

Aromatic Rings 0

Rotatable Bonds 31

Van der Waals Molecular Volume 624.00

Topological Polar Surface Area 63.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 11.40

Molar Refractivity 163.17

Admin

Created at

Updated at

14th Jun 2023