Structure Database (LMSD)
Common Name
6-methyl-9-heptadecenoic acid
Systematic Name
6-methyl-9E-nonadecenoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 6-methyl-9-heptadecenoic acid
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)
ADPXSSSUBLSXMG-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19(2)17-14-15-18-20(21)22/h11-12,19H,3-10,13-18H2,1-2H3,(H,21,22)/b12-11+
SMILES (Click to copy)
C(CCCCC(C)CC/C=C/CCCCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Moesziomyces rugulosus
(#84752)
Ustilaginomycetes
(#5257)
Purification and characterization of new fatty acids with antibiotic activity produced bySporothrix flocculosa.,
J Chem Ecol, 1996
J Chem Ecol, 1996
Pubmed ID:
24227481
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
22nd Apr 2020
Updated at
22nd Apr 2020