Structure Database (LMSD)

O OH
Common Name
16-methyl-9E-nonadecenoic acid
Systematic Name
16-methyl-9E-nonadecenoic acid
Synonyms
LM ID
LMFA01020426
Formula
C20H38O2
Exact Mass
Calculate m/z
310.28718
Sum Composition
FA 20:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

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

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

Other Databases

PubChem CID
101679910

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