Structure Database (LMSD)

Common Name
15-phenyl-9E-pentadecenoic acid
Systematic Name
15-phenyl-9E-pentadecenoic acid
Synonyms
LM ID
LMFA01140078
Formula
C21H32O2
Exact Mass
Calculate m/z
316.24023
Sum Composition
FA 21:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
MAPMHNVZASSSQK-HNQUOIGGSA-N
InChi (Click to copy)
InChI=1S/C21H32O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h1,3,11,13-14,17-18H,2,4-10,12,15-16,19H2,(H,22,23)/b3-1+
SMILES (Click to copy)
C1C=C(CCCCC/C=C/CCCCCCCC(=O)O)C=CC=1

Other Databases

PubChem CID
102355721

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 352.98
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.16
Molar Refractivity 97.71

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Updated at
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