Structure Database (LMSD)

OH O
Common Name
17-phenyl-13E-heptadecenoic acid
Systematic Name
17-phenyl-13E-heptadecenoic acid
Synonyms
LM ID
LMFA01140076
Formula
C23H36O2
Exact Mass
Calculate m/z
344.27153
Sum Composition
FA 23:5
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)
JHYURXORMRRZBX-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C23H36O2/c24-23(25)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h7,9,13,15-16,19-20H,1-6,8,10-12,14,17-18,21H2,(H,24,25)/b9-7+
SMILES (Click to copy)
C1C=C(CCC/C=C/CCCCCCCCCCCC(O)=O)C=CC=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Arum korolkowii (#578871)
Magnoliopsida (#3398)
Phenyl-terminated fatty acids in seeds of various aroids.,
Phytochemistry, 2004
Pubmed ID: 15587707

Other Databases

PubChem CID
134812128

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 387.58
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.94
Molar Refractivity 106.94

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Created at
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Updated at
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