Structure Database (LMSD)

Common Name
FAHFA(18:0/9-O-18:0)
Systematic Name
9-octadecanoyloxy-octadecanoic acid
Synonyms
  • 9-SAHSA
LM ID
LMFA07090012
Status
Active
Exact Mass
Calculate m/z
566.52741
Formula
Abbrev
Abbrev Chains
FAHFA 18:0/9-O-18:0


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
NQJLCZWOOVLQNP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H70O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(39)40-34(30-26-22-19-10-8-6-4-2)31-27-23-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCCCC)=O)CCCCCCCCC

References

Reference
Discovery of a class of endogenous mammalian lipids with anti-diabetic and anti-inflammatory effects. Yore MM, Syed I, Moraes-Vieira PM, Zhang T, Herman MA, Homan EA, Patel RT, Lee J, Chen S, Peroni OD, Dhaneshwar AS, Hammarstedt A, Smith U, McGraw TE, Saghatelian A, Kahn BB. Cell. 2014 Oct 9;159(2):318-32. doi: 10.1016/j.cell.2014.09.035.

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

Other Databases

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

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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Updated at
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