Structure Database (LMSD)

Common Name
FAHFA(18:1(9Z)/5-O-18:0)
Systematic Name
5-(9Z-octadecenoyloxy)-octadecanoic acid
Synonyms
  • 5-OAHSA
LM ID
LMFA07090025
Status
Active
Exact Mass
Calculate m/z
564.51176
Formula
Abbrev
Abbrev Chains
FAHFA 18:1/5-O-18:0


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FQZBGGYKEFIGPO-MSUUIHNZSA-N
InChi (Click to copy)
InChI=1S/C36H68O4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-33-36(39)40-34(31-29-32-35(37)38)30-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,34H,3-15,18-33H2,1-2H3,(H,37,38)/b17-16-
SMILES (Click to copy)
C(CCC(=O)O)C(OC(CCCCCCC/C=C\CCCCCCCC)=O)CCCCCCCCCCCCC

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 658.60
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 12.18
Molar Refractivity 172.41

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Created at
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Updated at
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