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
C18H34O2
Abbrev
FA 18:1
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

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
Vaccenic_acid
KEGG ID
C08367
HMDB ID
HMDB0003231
CHEBI ID
28727
LIPIDBANK ID
DFA0116
PubChem CID
5281127
PlantFA ID
10078
SwissLipids ID
SLM:000001203
Cayman ID
15301

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

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Updated at
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