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CHEBI:134092 - arsenocholine

ChEBI IDCHEBI:134092
ChEBI Namearsenocholine
Stars
DefinitionAn arsonium ion that is choline in which the central nitrogen has been replaced by arsenic.
Last Modified9 December 2016
SubmitterSteve
DownloadsMolfile
FormulaC5H14AsO
Net Charge+1
Average Mass165.088
Monoisotopic Mass165.02551
SMILESC[As+](C)(C)CCO
InChIInChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyORLOBEXOFQEWFQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (AGR:IND92025878)
Clupea harengus (ncbitaxon:7950) - PubMed (3349210)
Perca fluviatilis (ncbitaxon:8168) - PubMed (3349210)
Esox lucius (ncbitaxon:8010) - PubMed (3349210)
Homarus gammarus (ncbitaxon:6707) - PubMed (3349210)
Cancer pagurus (ncbitaxon:6755) - PubMed (3349210)
Lota lota (ncbitaxon:69944) - PubMed (3349210)
Pandalus borealis (ncbitaxon:6703) - PubMed (3349210)
Rutilus rutilus (ncbitaxon:48668) - PubMed (3349210)
Roles Classification
Biological Roles:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
arsenocholine (CHEBI:134092) has role human urinary metabolite (CHEBI:84087)
arsenocholine (CHEBI:134092) has role marine metabolite (CHEBI:76507)
arsenocholine (CHEBI:134092) has role xenobiotic (CHEBI:35703)
arsenocholine (CHEBI:134092) is a arsonium ion (CHEBI:62607)
arsenocholine (CHEBI:134092) is a organoarsenic compound (CHEBI:33406)
IUPAC Name 
(2-hydroxyethyl)(trimethyl)arsanium
Synonym  Source
(2-Hydroxyethyl)trimethylarsoniumChemIDplus
Manual XrefsDatabases
HMDB0032683HMDB
Registry NumbersSources
Reaxys:1736750Reaxys
CAS:39895-81-3ChemIDplus
Citations