Structure Database (LMSD)

Common Name
9:0(8Me,8Me)
Systematic Name
8,8-dimethyl-nonanoic acid
Synonyms
LM ID
LMFA01020346
Status
Active
Exact Mass
Calculate m/z
186.16198
Formula
C11H22O2
Abbrev
FA 11:0
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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)
PCVAKFVNCSPYNN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3,(H,12,13)
SMILES (Click to copy)
C(CCCCCCC(C)(C)C)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ephydatia syriaca (#1191330)
Demospongiae (#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

Other Databases

CHEBI ID
179401
PubChem CID
20601675

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.46
Molar Refractivity 54.79

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Updated at
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