Structure Database (LMSD)

Common Name
FAHFA 18:1(9Z)/13O(FA 16:0)
Systematic Name
13-(9Z-octadecenoyloxy)-hexadecanoic acid
Synonyms
  • 13-OAHPA
LM ID
LMFA07090064
Formula
Exact Mass
Calculate m/z
536.48046
Sum Composition
Abbrev Chains
FAHFA 18:1/16:0;O
Status
Active

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

String Representations

InChiKey (Click to copy)
CZTGQCBNZHGHNZ-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C34H64O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-24-27-31-34(37)38-32(28-4-2)29-25-22-19-16-15-17-20-23-26-30-33(35)36/h11-12,32H,3-10,13-31H2,1-2H3,(H,35,36)/b12-11-
SMILES (Click to copy)
C(CCCCCCCCCCC(=O)O)C(OC(CCCCCCC/C=C\CCCCCCCC)=O)CCC

Other Databases

HMDB ID
PubChem CID

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

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Created at
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Updated at
14th Jun 2023