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CHEBI:82392 - Arsenobetaine

Default Structure
ChEBI IDCHEBI:82392
ChEBI NameArsenobetaine
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC5H11AsO2
Net Charge0
Average Mass178.063
Monoisotopic Mass177.99750
SMILESC[As+](C)(C)CC(=O)[O-]
InChIInChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKeySPTHHTGLGVZZRH-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) Article (National Health and Nutrition Examination Survey (NHANES Survey) 2013)
ChEBI Ontology
Outgoing Relation(s)
Arsenobetaine (CHEBI:82392) is a organic salt (CHEBI:24868)
Synonyms  Source
2-(trimethylarsaniumyl)acetateHMDB
2-(Trimethylarsonio)acetateHMDB
Arsenobetaine monohydrateHMDB
Arsonium, (carboxymethyl)trimethyl-, hydroxide, inner saltHMDB
(carboxymethyl)trimethylarsonium hydroxide inner saltHMDB
(Carboxymethyl)trimethylarsonium hydroxide inner salt, 9CIHMDB
Manual XrefsDatabases
ArsenobetaineWikipedia
C00033652KNApSAcK
C19331KEGG COMPOUND
HMDB0033206HMDB
Registry NumbersSources
CAS:64436-13-1KEGG COMPOUND