Structure Database (LMSD)

Common Name
23-phenyl tricosanoic acid
Systematic Name
23-phenyl-tricosanoic acid
Synonyms
LM ID
LMFA01140072
Formula
C29H50O2
Exact Mass
Calculate m/z
430.38108
Sum Composition
FA 29:4
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
Arisaema utile (#228851)
Magnoliopsida (#3398)
Phenyl-terminated fatty acids in seeds of various aroids.,
Phytochemistry, 2004
Pubmed ID: 15587707

String Representations

InChiKey (Click to copy)
ODISDFBIRZIIOH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H50O2/c30-29(31)27-23-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-24-28-25-21-19-22-26-28/h19,21-22,25-26H,1-18,20,23-24,27H2,(H,30,31)
SMILES (Click to copy)
C(CC(=O)O)CCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1

Other Databases

PubChem CID
134812125

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 1
Aromatic Rings 1
Rotatable Bonds 23
Van der Waals Molecular Volume 494.02
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.51
Molar Refractivity 134.74

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Updated at
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