Structure Database (LMSD)

O OH
Common Name
19:0(11Me)
Systematic Name
11-methyl-nonadecanoic acid
Synonyms
LM ID
LMFA01020342
Formula
C20H40O2
Exact Mass
Calculate m/z
312.30283
Sum Composition
FA 20:0
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)
QHWDSAMTIZLUAO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O2/c1-3-4-5-6-10-13-16-19(2)17-14-11-8-7-9-12-15-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCCCC(C)CCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Baikalospongia bacillifera (#83851)
Demospongiae (#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

Other Databases

CHEBI ID
179722
PubChem CID
52921772
PlantFA ID
10794

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 369.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.97
Molar Refractivity 96.35

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Updated at
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