Structure Database (LMSD)

Common Name
13-Phenyltridecanoic acid
Systematic Name
13-Phenyltridecanoic acid
Synonyms
LM ID
LMFA01140025
Status
Active
Exact Mass
Calculate m/z
290.22458
Formula
C19H30O2
Abbrev
FA 19:4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
JVPLVXRNWLOHML-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H30O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2,(H,20,21)
SMILES (Click to copy)
C(O)(=O)CCCCCCCCCCCCC1=CC=CC=C1

References

Other Databases

PubChem CID
10541544
PlantFA ID
10515

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 321.02
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.60
Molar Refractivity 88.57

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Updated at
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