Structure Database (LMSD)

Common Name
FAHFA 16:1(9Z)/7O(FA 18:0)
Systematic Name
7-(9Z-hexadecenoyloxy)-octadecanoic acid
Synonyms
  • 7-POHSA
LM ID
LMFA07090018
Formula
Exact Mass
Calculate m/z
536.48046
Sum Composition
Abbrev Chains
FAHFA 16:1/18:0;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)
DHNKYABHPSSQPN-YPKPFQOOSA-N
InChi (Click to copy)
InChI=1S/C34H64O4/c1-3-5-7-9-11-13-14-15-16-18-20-22-27-31-34(37)38-32(29-25-23-26-30-33(35)36)28-24-21-19-17-12-10-8-6-4-2/h13-14,32H,3-12,15-31H2,1-2H3,(H,35,36)/b14-13-
SMILES (Click to copy)
C(CCCCC(=O)O)C(OC(CCCCCCC/C=C\CCCCCC)=O)CCCCCCCCCCC

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
-
Updated at
14th Jun 2023