Structure Database (LMSD)
Common Name
16-methyl-9E-nonadecenoic acid
Systematic Name
16-methyl-9E-nonadecenoic acid
Synonyms
3D model of 16-methyl-9E-nonadecenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Moesziomyces rugulosus
(#84752)
Ustilaginomycetes
(#5257)
New extracellular fatty acids in culture filtrates of Sporothrix flocculosa and S. rugulosa,
Canadian Journal of Chemistry, 1995
Canadian Journal of Chemistry, 1995
DOI:
10.1139/v95-012
String Representations
InChiKey (Click to copy)
SDEKLJPUPCJPTQ-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-3-16-19(2)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(21)22/h4,6,19H,3,5,7-18H2,1-2H3,(H,21,22)/b6-4+
SMILES (Click to copy)
C(CCCCCCC/C=C/CCCCCC(C)CCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
366.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.74
Molar Refractivity
96.25
Admin
Created at
17th Apr 2020
Updated at
22nd Apr 2020