Structure Database (LMSD)

Common Name
2,2-dibromoacetic acid
Systematic Name
2,2-dibromoethanoic acid
Synonyms
LM ID
LMFA01090076
Formula
C2H2Br2O2
Exact Mass
Calculate m/z
215.842152
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Asparagopsis taxiformis (#260499)
Florideophyceae (#2806)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

String Representations

InChiKey (Click to copy)
SIEILFNCEFEENQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
SMILES (Click to copy)
C(C(Br)Br)(=O)O

Other Databases

CHEBI ID
90124
PubChem CID
12433

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 96.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.47
Molar Refractivity 29.79

Admin

Created at
-
Updated at
-