Structure Database (LMSD)

Common Name
Paullinic acid
Systematic Name
13Z-eicosenoic acid
Synonyms
  • C20:1n-7
LM ID
LMFA01030367
Status
Active
Exact Mass
Calculate m/z
310.28718
Formula
Abbrev


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)
URXZXNYJPAJJOQ-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
3533
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 366.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.89
Molar Refractivity 96.32

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Created at
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Updated at
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