3EV5_TMO_A_905
  RCSB PDB12061708303D
Coordinates from PDB:3EV5:A:905 Model:1 without hydrogens
  5  4  0  0  0  0            999 V2000
  -81.4120   -3.0860    6.2680   C 0  0  0  0  0  0  0  0  0  0  0  0
  -80.4850   -3.2900    5.1470   N 0  3  0  0  0  0  0  0  0  0  0  0
  -79.2720   -3.9640    5.6310   C 0  0  0  0  0  0  0  0  0  0  0  0
  -81.1320   -4.1240    4.1220   C 0  0  0  0  0  0  0  0  0  0  0  0
  -80.1300   -1.9970    4.5690   O 0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  2   2   1   5  -1
A    1
CAA
A    2
NAC
A    3
CAD
A    4
CAB
A    5
OAE
M  END
>  <InstanceId>
3EV5_TMO_A_905

>  <ChemCompId>
TMO

>  <PdbId>
3EV5

>  <ChainId>
A

>  <ResidueNumber>
905

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C3 N O

>  <Name>
trimethylamine oxide

>  <SystematicName>
N,N-dimethylmethanamine oxide

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C3 H9 N O

>  <MolecularWeight>
75.11

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3

>  <InChIKey>
UYPYRKYUKCHHIB-UHFFFAOYSA-N

>  <SMILES>
C[N+](C)(C)[O-]

$$$$
