Ketcher 12091613452D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   10.9970   -5.2196    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   11.8631   -5.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7290   -5.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5952   -5.7196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1311   -5.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9968   -4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1309   -4.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  1  5  1  0     0  0
  1  6  1  0     0  0
  1  7  1  0     0  0
M  CHG  1   1   1
M  END
> <ID>
CHEBI:134092

> <NAME>
arsenocholine

> <DEFINITION>
An arsonium ion that is choline in which the central nitrogen has been replaced by arsenic.

> <STAR>
3

> <SYNONYM>
(2-Hydroxyethyl)trimethylarsonium

> <IUPAC_NAME>
(2-hydroxyethyl)(trimethyl)arsanium

> <FORMULA>
C5H14AsO

> <MASS>
165.086

> <MONOISOTOPIC_MASS>
165.02551

> <CHARGE>
1

> <SMILES>
[As+](CCO)(C)(C)C

> <INCHI>
InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

> <INCHIKEY>
ORLOBEXOFQEWFQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
39895-81-3

> <REAXYS_REGISTRY_NUMBER>
1736750

> <CHEMIDPLUS>
39895-81-3

> <AGRICOLA_CITATION>
IND86035749; IND92025878

> <PUBMED_CITATION>
1580419; 16746711; 2363511; 27277209; 2953397; 3288685; 3349210; 3435795; 6642710; 6719099

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