Structure Database (LMSD)

Common Name
2,12-dimethyltetradecanoic acid
Systematic Name
2,12-dimethyltetradecanoic acid
Synonyms
LM ID
LMFA01020435
Formula
C16H32O2
Exact Mass
Calculate m/z
256.240231
Sum Composition
FA 16:0
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
Bacillus (#1386)
Bacilli (#91061)
Characterization of novel methyl-branched chain fatty acids from a halophilic Bacillus species.,
J Nat Prod, 2001
Pubmed ID: 11430016

String Representations

InChiKey (Click to copy)
SXILUVNCFRWCCF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
SMILES (Click to copy)
C(=O)(O)C(C)CCCCCCCCCC(C)CC

Other Databases

PubChem CID
56615674

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.26
Molar Refractivity 77.81

Admin

Created at
8th May 2020
Updated at
29th Mar 2024