Structure Database (LMSD)

OH O
Common Name
13-phenyl-9E-tridecenoic acid
Systematic Name
13-phenyl-9E-tridecenoic acid
Synonyms
LM ID
LMFA01140074
Formula
C19H28O2
Exact Mass
Calculate m/z
288.20893
Sum Composition
FA 19:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
PTHXJDIHJNGHDK-HWKANZROSA-N
InChi (Click to copy)
InChI=1S/C19H28O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h3,5,9,11-12,15-16H,1-2,4,6-8,10,13-14,17H2,(H,20,21)/b5-3+
SMILES (Click to copy)
C1C=C(CCC/C=C/CCCCCCCC(O)=O)C=CC=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Arum elongatum (#491971)
Magnoliopsida (#3398)
Phenyl-terminated fatty acids in seeds of various aroids.,
Phytochemistry, 2004
Pubmed ID: 15587707

Other Databases

CHEBI ID
186915
PubChem CID
102355720

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 318.38
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.38
Molar Refractivity 88.47

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Updated at
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