Structure Database (LMSD)

Common Name
trans-vaccenic acid
Systematic Name
11E-octadecenoic acid
Synonyms
  • trans-11-octadecenoic acid
  • C18:1n-7
LM ID
LMFA01030077
Status
Active
Exact Mass
Calculate m/z
282.25588
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)
UWHZIFQPPBDJPM-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
SMILES (Click to copy)
C(/C=C/CCCCCC)CCCCCCCCC(=O)O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0116
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.11
Molar Refractivity 87.09

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022