Structure Database (LMSD)
Systematic Name
14-methyl-9E-pentadecenoic acid
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YRYADTKRRRPFOA-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5,7,15H,3-4,6,8-14H2,1-2H3,(H,17,18)/b7-5+
SMILES (Click to copy)
C(CCCCCCC/C=C/CCCC(C)C)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Actinomycetales
(#105426)
Actinomycetia
(#1760)
Bioassay- and metabolomics-guided screening of bioactive soil actinomycetes from the ancient city of Ihnasia, Egypt.,
PLoS One, 2019
PLoS One, 2019
Pubmed ID:
31887193
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
297.66
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.18
Molar Refractivity
77.78
Admin
Created at
7th Oct 2020
Updated at
7th Oct 2020