EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:134092 - arsenocholine

Default Structure
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DefinitionAn arsonium ion that is choline in which the central nitrogen has been replaced by arsenic.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
Cancer pagurus (ncbitaxon:6755) - PubMed (3349210)
Clupea harengus (ncbitaxon:7950) - PubMed (3349210)
Esox lucius (ncbitaxon:8010) - PubMed (3349210)
Homarus gammarus (ncbitaxon:6707) - PubMed (3349210)
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (AGR:IND92025878)
Lota lota (ncbitaxon:69944) - PubMed (3349210)
Pandalus borealis (ncbitaxon:6703) - PubMed (3349210)
Perca fluviatilis (ncbitaxon:8168) - PubMed (3349210)
Rutilus rutilus (ncbitaxon:48668) - PubMed (3349210)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
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.
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