LIPID MAPS

Structure Database (LMSD)

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Common Name

FAHFA 18:0/7O(FA 18:0)

Systematic Name

7-octadecanoyloxy-octadecanoic acid

Synonyms

7-SAHSA

LM ID

LMFA07090010

Formula

C₃₆H₇₀O₄

Exact Mass

Calculate m/z

566.52741

Sum Composition

FAHFA 36:0;O

Abbrev Chains

FAHFA 18:0/18:0;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)

QUZMPBWTOKQCEK-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C36H70O4/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-29-33-36(39)40-34(31-27-25-28-32-35(37)38)30-26-23-21-19-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H,37,38)

SMILES (Click to copy)

C(CCCCC(=O)O)C(OC(CCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCC

Other Databases

HMDB ID

HMDB0112129

PubChem CID

101527489

Calculated Physicochemical Properties

Heavy Atoms 40

Rings 0

Aromatic Rings 0

Rotatable Bonds 34

Van der Waals Molecular Volume 661.24

Topological Polar Surface Area 63.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 12.40

Molar Refractivity 172.50

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Created at

Updated at

14th Jun 2023