Structure Database (LMSD)

Common Name
11:0(10Me,10Me)
Systematic Name
10,10-dimethyl-undecanoic acid
Synonyms
LM ID
LMFA01020347
Formula
C13H26O2
Exact Mass
Calculate m/z
214.19328
Sum Composition
FA 13:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
VYDBDDDTZMNNMM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-13(2,3)11-9-7-5-4-6-8-10-12(14)15/h4-11H2,1-3H3,(H,14,15)
SMILES (Click to copy)
C(CCCCCCCCC(C)(C)C)(=O)O

Other Databases

CHEBI ID
180119
PubChem CID
14371787

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.24
Molar Refractivity 64.03

Admin

Created at
-
Updated at
15th Apr 2021