Structure Database (LMSD)

Common Name
11-phenyl-7E-undecenoic acid
Systematic Name
11-phenyl-7E-undecenoic acid
Synonyms
LM ID
LMFA01140073
Formula
C17H24O2
Exact Mass
Calculate m/z
260.17763
Sum Composition
FA 17:5
Status
Curated
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]

Biological Context

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

String Representations

InChiKey (Click to copy)
LLUBVBHPXYZHLV-HNQUOIGGSA-N
InChi (Click to copy)
InChI=1S/C17H24O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h1,3,7,9-10,13-14H,2,4-6,8,11-12,15H2,(H,18,19)/b3-1+
SMILES (Click to copy)
C1C=C(CCC/C=C/CCCCCC(O)=O)C=CC=1

Other Databases

CHEBI ID
186607
PubChem CID
134812126

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 1
Rotatable Bonds 10
Van der Waals Molecular Volume 283.78
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.60
Molar Refractivity 79.24

Admin

Created at
-
Updated at
15th Feb 2021